 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer13_STD_B3LYPDBJ_augccpVDZ.in
 Output=12_L-valine_conformer13_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-205877.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    205892.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer13_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:41:50 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer13_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.440615000000      0.153795000000     -0.669675000000
  C                                                 1.139680000000     -0.482678000000     -0.185187000000
  C                                                -0.064388000000      0.433960000000     -0.468576000000
  C                                                -1.393633000000     -0.311348000000     -0.237189000000
  O                                                -2.341078000000      0.435941000000      0.339139000000
  C                                                 1.225474000000     -0.882175000000      1.288520000000
  N                                                -0.086110000000      1.714563000000      0.252336000000
  O                                                -1.573078000000     -1.451319000000     -0.570526000000
  H                                                -0.064405000000      0.666302000000     -1.537552000000
  H                                                 0.955080000000     -1.389343000000     -0.764288000000
  H                                                -1.913463000000      1.308566000000      0.499915000000
  H                                                 0.364571000000      1.641581000000      1.156509000000
  H                                                 0.373024000000      2.450485000000     -0.265418000000
  H                                                 0.304091000000     -1.355802000000      1.629384000000
  H                                                 2.039602000000     -1.591968000000      1.440373000000
  H                                                 1.432706000000     -0.023887000000      1.934977000000
  H                                                 2.391139000000      0.402937000000     -1.732114000000
  H                                                 2.666906000000      1.070641000000     -0.118883000000
  H                                                 3.280277000000     -0.527749000000     -0.525512000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 19:41:50 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.440615    0.153795   -0.669675
      2          6           0        1.139680   -0.482678   -0.185187
      3          6           0       -0.064388    0.433960   -0.468576
      4          6           0       -1.393633   -0.311348   -0.237189
      5          8           0       -2.341078    0.435941    0.339139
      6          6           0        1.225474   -0.882175    1.288520
      7          7           0       -0.086110    1.714563    0.252336
      8          8           0       -1.573078   -1.451319   -0.570526
      9          1           0       -0.064405    0.666302   -1.537552
     10          1           0        0.955080   -1.389343   -0.764288
     11          1           0       -1.913463    1.308566    0.499915
     12          1           0        0.364571    1.641581    1.156509
     13          1           0        0.373024    2.450485   -0.265418
     14          1           0        0.304091   -1.355802    1.629384
     15          1           0        2.039602   -1.591968    1.440373
     16          1           0        1.432706   -0.023887    1.934977
     17          1           0        2.391139    0.402937   -1.732114
     18          1           0        2.666906    1.070641   -0.118883
     19          1           0        3.280277   -0.527749   -0.525512
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.527173   0.000000
     3  C    2.528631   1.539583   0.000000
     4  C    3.886497   2.539632   1.541401   0.000000
     5  O    4.895089   3.637919   2.415724   1.337253   0.000000
     6  C    2.526723   1.529304   2.546241   3.084372   3.919062
     7  N    3.109733   2.553792   1.469738   2.460400   2.593702
     8  O    4.323882   2.906167   2.416778   1.201186   2.231382
     9  H    2.700185   2.144497   1.093934   2.100855   2.959438
    10  H    2.144071   1.091548   2.109785   2.637491   3.926050
    11  H    4.653969   3.605496   2.263181   1.854095   0.984976
    12  H    3.139811   2.629338   2.069603   2.974493   3.072816
    13  H    3.116591   3.032762   2.073397   3.278658   3.433690
    14  H    3.482713   2.180189   2.782168   2.730796   3.445576
    15  H    2.767815   2.163985   3.489304   4.030050   4.951312
    16  H    2.798511   2.188938   2.868446   3.576189   4.123055
    17  H    1.092381   2.177946   2.761721   4.131525   5.165758
    18  H    1.093246   2.179361   2.826237   4.290905   5.068780
    19  H    1.091017   2.167950   3.480648   4.687792   5.768531
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.088200   0.000000
     8  O    3.407619   3.593186   0.000000
     9  H    3.471059   2.074373   2.774086   0.000000
    10  H    2.131749   3.428095   2.536330   2.421356   0.000000
    11  H    3.908218   1.888213   2.979710   2.825383   4.135875
    12  H    2.669817   1.012901   4.037718   2.897094   3.636573
    13  H    3.774655   1.010175   4.370867   2.234497   3.915602
    14  H    1.090622   3.387574   2.893526   3.775471   2.480842
    15  H    1.090720   4.106486   4.137022   4.288900   2.465314
    16  H    1.094308   2.856622   4.165314   3.843977   3.062455
    17  H    3.483463   3.434409   4.527976   2.477279   2.492232
    18  H    2.805708   2.851585   4.953961   3.104218   3.065684
    19  H    2.763792   4.118929   4.940654   3.692815   2.491164
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.394045   0.000000
    13  H    2.667909   1.635932   0.000000
    14  H    3.645834   3.035057   4.252393   0.000000
    15  H    4.992422   3.652690   4.693467   1.761675   0.000000
    16  H    3.877071   2.126196   3.476662   1.772331   1.752665
    17  H    4.932719   3.739700   3.227451   4.329965   3.764027
    18  H    4.628099   2.693203   2.680921   3.811425   3.148694
    19  H    5.603435   4.004563   4.170090   3.766554   2.556666
                   16         17         18         19
    16  H    0.000000
    17  H    3.814227   0.000000
    18  H    2.634309   1.767595   0.000000
    19  H    3.117916   1.764265   1.759665   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.90D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.440615    0.153795   -0.669675
      2          6           0        1.139680   -0.482678   -0.185187
      3          6           0       -0.064388    0.433960   -0.468576
      4          6           0       -1.393633   -0.311348   -0.237189
      5          8           0       -2.341078    0.435941    0.339139
      6          6           0        1.225474   -0.882175    1.288520
      7          7           0       -0.086110    1.714563    0.252336
      8          8           0       -1.573078   -1.451319   -0.570526
      9          1           0       -0.064405    0.666302   -1.537552
     10          1           0        0.955080   -1.389343   -0.764288
     11          1           0       -1.913463    1.308566    0.499915
     12          1           0        0.364571    1.641581    1.156509
     13          1           0        0.373024    2.450485   -0.265418
     14          1           0        0.304091   -1.355802    1.629384
     15          1           0        2.039602   -1.591968    1.440373
     16          1           0        1.432706   -0.023887    1.934977
     17          1           0        2.391139    0.402937   -1.732114
     18          1           0        2.666906    1.070641   -0.118883
     19          1           0        3.280277   -0.527749   -0.525512
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.0457750           1.4734547           1.2560050
 Leave Link  202 at Thu Aug 12 19:41:50 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       408.5379247680 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0289868381 Hartrees.
 Nuclear repulsion after empirical dispersion term =      408.5089379299 Hartrees.
 Leave Link  301 at Thu Aug 12 19:41:51 2021, MaxMem=  5368709120 cpu:               9.7 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  7.76D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 19:41:51 2021, MaxMem=  5368709120 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:41:52 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer13_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:41:52 2021, MaxMem=  5368709120 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368524961 LenY=  5368435119
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.458567657320    
 DIIS: error= 1.70D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.458567657320     IErMin= 1 ErrMin= 1.70D-03
 ErrMax= 1.70D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.92D-03 BMatP= 4.92D-03
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.70D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.253 Goal=   None    Shift=    0.000
 GapD=    0.253 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.36D-02 MaxDP=1.46D+00              OVMax= 1.71D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.31D-02    CP:  1.16D+00
 E= -402.463096016889     Delta-E=       -0.004528359569 Rises=F Damp=F
 DIIS: error= 4.33D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.463096016889     IErMin= 2 ErrMin= 4.33D-04
 ErrMax= 4.33D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-04 BMatP= 4.92D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.33D-03
 Coeff-Com:  0.134D-01 0.987D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.134D-01 0.987D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=4.86D-04 MaxDP=4.85D-02 DE=-4.53D-03 OVMax= 4.54D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.64D-04    CP:  1.16D+00  1.03D+00
 E= -402.462954070495     Delta-E=        0.000141946394 Rises=F Damp=F
 DIIS: error= 7.12D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -402.463096016889     IErMin= 2 ErrMin= 4.33D-04
 ErrMax= 7.12D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.23D-04 BMatP= 1.22D-04
 IDIUse=3 WtCom= 2.73D-01 WtEn= 7.27D-01
 Coeff-Com: -0.128D-01 0.630D+00 0.383D+00
 Coeff-En:   0.000D+00 0.688D+00 0.312D+00
 Coeff:     -0.350D-02 0.672D+00 0.332D+00
 Gap=     0.234 Goal=   None    Shift=    0.000
 RMSDP=9.22D-05 MaxDP=5.96D-03 DE= 1.42D-04 OVMax= 3.13D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.64D-05    CP:  1.16D+00  1.03D+00  8.33D-01
 E= -402.463189844748     Delta-E=       -0.000235774253 Rises=F Damp=F
 DIIS: error= 6.05D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.463189844748     IErMin= 4 ErrMin= 6.05D-05
 ErrMax= 6.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.55D-06 BMatP= 1.22D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.668D-02 0.282D+00 0.120D+00 0.605D+00
 Coeff:     -0.668D-02 0.282D+00 0.120D+00 0.605D+00
 Gap=     0.234 Goal=   None    Shift=    0.000
 RMSDP=2.47D-05 MaxDP=1.80D-03 DE=-2.36D-04 OVMax= 7.09D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.67D-05    CP:  1.16D+00  1.03D+00  8.44D-01  1.12D+00
 E= -402.463192710646     Delta-E=       -0.000002865898 Rises=F Damp=F
 DIIS: error= 2.74D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.463192710646     IErMin= 5 ErrMin= 2.74D-05
 ErrMax= 2.74D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-06 BMatP= 4.55D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.155D-02 0.389D-01-0.688D-02 0.405D+00 0.564D+00
 Coeff:     -0.155D-02 0.389D-01-0.688D-02 0.405D+00 0.564D+00
 Gap=     0.234 Goal=   None    Shift=    0.000
 RMSDP=9.73D-06 MaxDP=5.77D-04 DE=-2.87D-06 OVMax= 4.29D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.69D-06    CP:  1.16D+00  1.03D+00  8.56D-01  1.16D+00  8.56D-01
 E= -402.463193498800     Delta-E=       -0.000000788154 Rises=F Damp=F
 DIIS: error= 9.09D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.463193498800     IErMin= 6 ErrMin= 9.09D-06
 ErrMax= 9.09D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.81D-08 BMatP= 1.13D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.412D-03 0.691D-03-0.131D-01 0.194D+00 0.338D+00 0.481D+00
 Coeff:     -0.412D-03 0.691D-03-0.131D-01 0.194D+00 0.338D+00 0.481D+00
 Gap=     0.234 Goal=   None    Shift=    0.000
 RMSDP=2.52D-06 MaxDP=8.36D-05 DE=-7.88D-07 OVMax= 8.76D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.05D-06    CP:  1.16D+00  1.03D+00  8.59D-01  1.16D+00  8.09D-01
                    CP:  8.31D-01
 E= -402.463193585528     Delta-E=       -0.000000086728 Rises=F Damp=F
 DIIS: error= 1.26D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.463193585528     IErMin= 7 ErrMin= 1.26D-06
 ErrMax= 1.26D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.44D-09 BMatP= 9.81D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.285D-04-0.277D-02-0.385D-02 0.389D-01 0.758D-01 0.158D+00
 Coeff-Com:  0.734D+00
 Coeff:     -0.285D-04-0.277D-02-0.385D-02 0.389D-01 0.758D-01 0.158D+00
 Coeff:      0.734D+00
 Gap=     0.234 Goal=   None    Shift=    0.000
 RMSDP=5.46D-07 MaxDP=3.15D-05 DE=-8.67D-08 OVMax= 8.33D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.75D-07    CP:  1.16D+00  1.03D+00  8.60D-01  1.17D+00  8.19D-01
                    CP:  8.46D-01  9.11D-01
 E= -402.463193586716     Delta-E=       -0.000000001188 Rises=F Damp=F
 DIIS: error= 3.78D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.463193586716     IErMin= 8 ErrMin= 3.78D-07
 ErrMax= 3.78D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.37D-10 BMatP= 1.44D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.841D-05-0.118D-02-0.102D-02 0.757D-02 0.150D-01 0.414D-01
 Coeff-Com:  0.302D+00 0.636D+00
 Coeff:      0.841D-05-0.118D-02-0.102D-02 0.757D-02 0.150D-01 0.414D-01
 Coeff:      0.302D+00 0.636D+00
 Gap=     0.234 Goal=   None    Shift=    0.000
 RMSDP=1.57D-07 MaxDP=7.65D-06 DE=-1.19D-09 OVMax= 2.42D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.13D-07    CP:  1.16D+00  1.03D+00  8.60D-01  1.17D+00  8.20D-01
                    CP:  8.53D-01  9.28D-01  9.08D-01
 E= -402.463193586843     Delta-E=       -0.000000000128 Rises=F Damp=F
 DIIS: error= 1.10D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.463193586843     IErMin= 9 ErrMin= 1.10D-07
 ErrMax= 1.10D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.83D-11 BMatP= 1.37D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.675D-05-0.245D-03-0.850D-04-0.365D-03-0.111D-02 0.263D-02
 Coeff-Com:  0.644D-01 0.306D+00 0.628D+00
 Coeff:      0.675D-05-0.245D-03-0.850D-04-0.365D-03-0.111D-02 0.263D-02
 Coeff:      0.644D-01 0.306D+00 0.628D+00
 Gap=     0.234 Goal=   None    Shift=    0.000
 RMSDP=4.20D-08 MaxDP=2.05D-06 DE=-1.28D-10 OVMax= 1.06D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.94D-08    CP:  1.16D+00  1.03D+00  8.60D-01  1.17D+00  8.19D-01
                    CP:  8.54D-01  9.34D-01  9.36D-01  8.13D-01
 E= -402.463193586852     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 3.11D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.463193586852     IErMin=10 ErrMin= 3.11D-08
 ErrMax= 3.11D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.28D-12 BMatP= 1.83D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.256D-05-0.563D-04 0.167D-04-0.630D-03-0.147D-02-0.100D-02
 Coeff-Com:  0.166D-01 0.125D+00 0.322D+00 0.540D+00
 Coeff:      0.256D-05-0.563D-04 0.167D-04-0.630D-03-0.147D-02-0.100D-02
 Coeff:      0.166D-01 0.125D+00 0.322D+00 0.540D+00
 Gap=     0.234 Goal=   None    Shift=    0.000
 RMSDP=1.05D-08 MaxDP=7.42D-07 DE=-8.30D-12 OVMax= 2.28D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.13D-09    CP:  1.16D+00  1.03D+00  8.60D-01  1.17D+00  8.19D-01
                    CP:  8.53D-01  9.33D-01  9.44D-01  8.15D-01  9.03D-01
 E= -402.463193586863     Delta-E=       -0.000000000011 Rises=F Damp=F
 DIIS: error= 5.68D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -402.463193586863     IErMin=11 ErrMin= 5.68D-09
 ErrMax= 5.68D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.03D-14 BMatP= 1.28D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.384D-06-0.102D-06 0.114D-04-0.174D-03-0.375D-03-0.484D-03
 Coeff-Com:  0.165D-03 0.145D-01 0.546D-01 0.197D+00 0.735D+00
 Coeff:      0.384D-06-0.102D-06 0.114D-04-0.174D-03-0.375D-03-0.484D-03
 Coeff:      0.165D-03 0.145D-01 0.546D-01 0.197D+00 0.735D+00
 Gap=     0.234 Goal=   None    Shift=    0.000
 RMSDP=3.46D-09 MaxDP=2.99D-07 DE=-1.10D-11 OVMax= 6.90D-08

 SCF Done:  E(RB3LYP) =  -402.463193587     A.U. after   11 cycles
            NFock= 11  Conv=0.35D-08     -V/T= 2.0061
 KE= 4.000081037427D+02 PE=-1.756176043059D+03 EE= 5.451958077996D+02
 Leave Link  502 at Thu Aug 12 19:42:51 2021, MaxMem=  5368709120 cpu:             473.7 elap:              59.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.61185846D+02

 Leave Link  801 at Thu Aug 12 19:42:51 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 2.34D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 3.08D-01 8.59D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 4.12D-02 2.70D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 2.68D-03 8.64D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 9.51D-05 1.68D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 2.14D-06 2.22D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 3.27D-08 2.53D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 3.86D-10 3.12D-06.
      9 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 3.18D-12 1.77D-07.
      3 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 2.52D-14 1.68D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   100 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.885776D+02
      2  0.141635D+00  0.820296D+02
      3 -0.215284D+01  0.142203D+01  0.718342D+02
 Isotropic polarizability for W=    0.088559       80.81 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.742919D+02 -0.936802D+01 -0.313172D+01
      2  -0.424366D+02  0.109742D+02 -0.110736D+00
      3  -0.318553D+02 -0.160618D+01  0.324245D+01
      4  -0.284124D+01  0.385592D+02 -0.221511D+02
      5   0.550177D+01 -0.241334D+02  0.767879D+02
      6  -0.965316D+01  0.820968D+01  0.420758D+00
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.658808D+00 -0.352966D+00  0.115699D+01
      2   0.316985D+01 -0.838829D+01  0.346475D+02
      3   0.737109D+01 -0.168384D+02  0.920524D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.198235D+01  0.832042D+01 -0.202694D+01
      2  -0.863349D+01 -0.124979D+02  0.108643D+03
      3   0.652678D+01 -0.809959D+02  0.144802D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.871100D-01 -0.743355D+00 -0.156954D+01
      2  -0.743355D+00  0.180755D+01 -0.996338D+00
      3  -0.156954D+01 -0.996338D+00 -0.244680D+00
 OR G Eigenvalues:    -2.1254     1.3817     2.2195  Iso=    -0.4919
 Eigenvectors:
   (1)   0.648285   0.299833   0.699876
   (2)   0.757366  -0.159460  -0.633222
   (3)  -0.078259   0.940570  -0.330459
 w=    0.088559 a.u., Optical Rotation Beta=     -0.4919 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =     -212.93 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 8.73D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.98D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 4.38D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 1.72D-02 4.33D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 3.85D-04 2.60D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 4.54D-06 2.00D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 3.42D-08 1.71D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 1.30D-10 1.09D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 2.59D-13 5.22D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   210 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 5.01D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 5.01D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.05D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.885776D+02  0.141635D+00 -0.215284D+01
      2   0.141635D+00  0.820296D+02  0.142203D+01
      3  -0.215284D+01  0.142203D+01  0.718342D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.658808D+00 -0.352966D+00  0.115699D+01
      2   0.316985D+01 -0.838829D+01  0.346475D+02
      3   0.737109D+01 -0.168384D+02  0.920524D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.742919D+02 -0.936802D+01 -0.313172D+01
      2  -0.424366D+02  0.109742D+02 -0.110736D+00
      3  -0.318553D+02 -0.160618D+01  0.324245D+01
      4  -0.284124D+01  0.385592D+02 -0.221511D+02
      5   0.550177D+01 -0.241334D+02  0.767879D+02
      6  -0.965316D+01  0.820968D+01  0.420758D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.128800D+01  0.413728D+01 -0.239864D+01  0.481316D+01 -0.322175D+01
      2   0.413728D+01 -0.246797D+01 -0.107835D+01 -0.322175D+01 -0.224587D+01
      3  -0.239864D+01 -0.107835D+01  0.827547D+00 -0.963249D+00 -0.215130D+01
                 6             7             8             9            10 
      1  -0.963249D+00 -0.272005D+01 -0.598414D+00 -0.469076D+00  0.239279D+01
      2  -0.215130D+01 -0.598414D+00 -0.216802D+01 -0.329001D+01 -0.373185D+01
      3  -0.286926D+01 -0.469076D+00 -0.329001D+01  0.673219D+01  0.294305D+01
                11            12            13            14            15 
      1  -0.373185D+01  0.294305D+01 -0.497256D+01  0.169526D+01  0.115471D+01
      2   0.205688D+01  0.131970D+01  0.169526D+01  0.269956D+01  0.254143D+01
      3   0.131970D+01 -0.344313D+00  0.115471D+01  0.254143D+01  0.345800D+01
                16            17            18            19            20 
      1   0.327020D+01  0.912244D+00 -0.121777D+00 -0.822039D+00  0.366203D+01
      2   0.912244D+00  0.218795D+01  0.412366D+01  0.366203D+01 -0.999636D+00
      3  -0.121777D+00  0.412366D+01 -0.441174D+01 -0.504931D+00 -0.262691D+00
                21            22            23            24            25 
      1  -0.504931D+00  0.432432D+01  0.339484D+00  0.222737D+00 -0.844046D+00
      2  -0.262691D+00  0.339484D+00 -0.225700D+01 -0.121173D+01  0.839095D+00
      3  -0.450001D-01  0.222737D+00 -0.121173D+01 -0.123020D+01  0.367142D+00
                26            27            28            29            30 
      1   0.839095D+00  0.367142D+00 -0.231407D+01 -0.278762D+01 -0.441567D+00
      2  -0.122230D+01 -0.239844D+01 -0.278762D+01 -0.547941D-01  0.783857D+00
      3  -0.239844D+01  0.591933D+01 -0.441567D+00  0.783857D+00 -0.401610D+00
                31            32            33            34            35 
      1  -0.605965D+00  0.225797D+01  0.130181D+01 -0.453049D-01  0.154246D+01
      2   0.225797D+01  0.587366D+01  0.177705D+01  0.154246D+01  0.248254D+01
      3   0.130181D+01  0.177705D+01  0.883035D+00  0.438249D+00  0.809470D+00
                36            37            38            39            40 
      1   0.438249D+00 -0.806249D+01  0.152963D+01  0.157449D+01 -0.232630D+01
      2   0.809470D+00  0.152963D+01 -0.184056D+01 -0.596018D+00 -0.410131D+01
      3   0.246600D-02  0.157449D+01 -0.596018D+00 -0.103984D+01 -0.295508D+00
                41            42            43            44            45 
      1  -0.410131D+01 -0.295508D+00  0.135168D+01 -0.967383D+00 -0.213163D+01
      2  -0.207999D+01 -0.381707D+00 -0.967383D+00 -0.885253D+00  0.578629D+00
      3  -0.381707D+00 -0.159685D+00 -0.213163D+01  0.578629D+00  0.188708D+01
                46            47            48            49            50 
      1   0.271066D+00  0.517225D+01 -0.340583D+01  0.498558D+01 -0.223252D+01
      2   0.517225D+01 -0.239041D+01 -0.782082D+00 -0.223252D+01 -0.193458D+00
      3  -0.340583D+01 -0.782082D+00  0.526871D+00 -0.857706D+00 -0.324047D+01
                51            52            53            54            55 
      1  -0.857706D+00 -0.225213D+01 -0.865619D+00  0.297827D+00 -0.809614D+00
      2  -0.324047D+01 -0.865619D+00 -0.234399D+01 -0.334623D+01 -0.166333D+01
      3  -0.260291D+01  0.297827D+00 -0.334623D+01  0.260869D+01 -0.289178D+00
                56            57            58            59            60 
      1  -0.166333D+01 -0.289178D+00 -0.137080D+01 -0.348363D+01  0.194393D+00
      2  -0.306500D+01  0.377833D+00 -0.348363D+01  0.176642D+01  0.205516D+01
      3   0.377833D+00 -0.207553D+01  0.194393D+00  0.205516D+01  0.131307D+00
                61            62            63            64            65 
      1   0.116352D-01  0.458925D+00 -0.250619D+01 -0.140190D+01 -0.272974D+01
      2   0.458925D+00  0.242917D+01  0.445360D+00 -0.272974D+01 -0.181403D+01
      3  -0.250619D+01  0.445360D+00 -0.235332D+01 -0.101348D+01 -0.959154D+00
                66            67            68            69            70 
      1  -0.101348D+01 -0.417554D+01 -0.264626D+01 -0.791237D+00 -0.156465D+01
      2  -0.959154D+00 -0.264626D+01 -0.119009D+02 -0.233469D+01 -0.837448D+00
      3  -0.430563D+00 -0.791237D+00 -0.233469D+01 -0.270849D+01 -0.125957D+01
                71            72            73            74            75 
      1  -0.837448D+00 -0.125957D+01  0.292310D+00 -0.234727D+00 -0.106892D+01
      2  -0.198111D+01 -0.333222D+01 -0.234727D+00  0.138083D+00  0.186079D-01
      3  -0.333222D+01 -0.259989D+01 -0.106892D+01  0.186079D-01  0.116592D-01
                76            77            78            79            80 
      1  -0.597820D+00 -0.848968D-01  0.181854D+00 -0.182970D+01 -0.400357D-01
      2  -0.848968D-01  0.149457D+01 -0.126851D+01 -0.400357D-01 -0.170327D+01
      3   0.181854D+00 -0.126851D+01  0.130469D+01 -0.263709D+00  0.190069D+01
                81            82            83            84            85 
      1  -0.263709D+00 -0.136743D+01 -0.372867D+00 -0.111635D+01 -0.102420D+01
      2   0.190069D+01 -0.372867D+00 -0.271621D+00 -0.924059D-01 -0.423733D+00
      3  -0.824685D+01 -0.111635D+01 -0.924059D-01 -0.223290D+00 -0.240428D+00
                86            87            88            89            90 
      1  -0.423733D+00 -0.240428D+00 -0.172299D+01 -0.253846D+00  0.329696D-02
      2  -0.583859D+01 -0.240260D+01 -0.253846D+00 -0.247473D+01 -0.237113D+01
      3  -0.240260D+01 -0.275272D+01  0.329696D-02 -0.237113D+01 -0.214847D+01
                91            92            93            94            95 
      1   0.102797D+01  0.221603D+01  0.118721D+00  0.511755D+01  0.540060D+00
      2   0.221603D+01  0.408458D+00  0.189396D+00  0.540060D+00  0.463503D+01
      3   0.118721D+00  0.189396D+00 -0.311117D+00 -0.423829D+00  0.106462D+01
                96            97            98            99           100 
      1  -0.423829D+00  0.835719D+00 -0.413235D-01 -0.806547D+00  0.443809D+00
      2   0.106462D+01 -0.413235D-01  0.984227D+00  0.745649D+00  0.487286D+00
      3   0.117601D+01 -0.806547D+00  0.745649D+00  0.979845D+00  0.109863D+01
               101           102           103           104           105 
      1   0.487286D+00  0.109863D+01  0.324966D+00  0.591776D+00  0.718210D-01
      2   0.105061D+01  0.341573D+00  0.591776D+00  0.394274D+00  0.803291D+00
      3   0.341573D+00  0.171542D+01  0.718210D-01  0.803291D+00  0.149268D+00
               106           107           108           109           110 
      1   0.244167D+01 -0.185459D-02  0.197189D+01  0.116764D+01  0.183374D+01
      2  -0.185459D-02  0.236108D+01  0.863850D+00  0.183374D+01  0.317685D+01
      3   0.197189D+01  0.863850D+00  0.507652D+01 -0.285684D+00 -0.536887D+00
               111           112           113           114           115 
      1  -0.285684D+00  0.278635D+01  0.285722D+01 -0.583754D+00 -0.129596D+01
      2  -0.536887D+00  0.285722D+01  0.676059D+01 -0.121159D+01 -0.113196D+01
      3   0.636352D+00 -0.583754D+00 -0.121159D+01  0.132358D+01  0.682724D+00
               116           117           118           119           120 
      1  -0.113196D+01  0.682724D+00 -0.476003D+01 -0.209524D+01  0.188080D+01
      2  -0.307013D+01  0.151006D+01 -0.209524D+01 -0.177096D+01  0.141327D+01
      3   0.151006D+01 -0.118137D+01  0.188080D+01  0.141327D+01 -0.276372D+01
               121           122           123           124           125 
      1  -0.225450D+01 -0.113023D+01  0.826713D+00  0.134824D+01  0.834669D+00
      2  -0.113023D+01 -0.214596D+01  0.160089D+01  0.834669D+00  0.113873D+01
      3   0.826713D+00  0.160089D+01 -0.122970D+01 -0.140119D+01 -0.740752D+00
               126           127           128           129           130 
      1  -0.140119D+01  0.473518D+01 -0.340865D+01  0.187138D+01 -0.326044D+01
      2  -0.740752D+00 -0.340865D+01  0.329071D+01 -0.119715D+01  0.293061D+01
      3   0.172235D+01  0.187138D+01 -0.119715D+01  0.176976D+01 -0.990056D+00
               131           132           133           134           135 
      1   0.293061D+01 -0.990056D+00  0.770025D+00 -0.541270D+00  0.102837D+01
      2  -0.415531D+01  0.184349D+01 -0.541270D+00  0.975482D+00 -0.742614D+00
      3   0.184349D+01 -0.126060D+01  0.102837D+01 -0.742614D+00  0.780680D+00
               136           137           138           139           140 
      1   0.804941D+00  0.185250D+00  0.120799D+01  0.912070D+00  0.509184D+00
      2   0.185250D+00  0.837516D+00  0.456390D+00  0.509184D+00  0.334698D+01
      3   0.120799D+01  0.456390D+00  0.997337D+00  0.845728D+00  0.196205D+01
               141           142           143           144           145 
      1   0.845728D+00  0.107100D+01  0.286957D+00  0.716452D+00  0.235658D+00
      2   0.196205D+01  0.286957D+00  0.200765D+01  0.186078D+01 -0.910716D-01
      3   0.357028D+01  0.716452D+00  0.186078D+01  0.397731D+01 -0.785806D+00
               146           147           148           149           150 
      1  -0.910716D-01 -0.785806D+00 -0.346264D-01  0.688878D+00 -0.265034D+00
      2   0.100932D+00  0.144983D+00  0.688878D+00  0.105645D+01 -0.120704D+01
      3   0.144983D+00 -0.135465D+00 -0.265034D+00 -0.120704D+01  0.174422D+01
               151           152           153           154           155 
      1  -0.205216D+01 -0.334168D+00  0.178639D+01  0.142165D+01  0.920118D+00
      2  -0.334168D+00 -0.146777D+01  0.205944D+01  0.920118D+00  0.138255D+01
      3   0.178639D+01  0.205944D+01 -0.926594D+01  0.685784D+00  0.432754D+00
               156           157           158           159           160 
      1   0.685784D+00  0.239365D+01  0.210774D+01  0.270707D+00  0.199643D+01
      2   0.432754D+00  0.210774D+01  0.515613D+01  0.148690D+01  0.846508D+00
      3   0.343849D+00  0.270707D+00  0.148690D+01  0.181283D+01  0.638575D+00
               161           162           163           164           165 
      1   0.846508D+00  0.638575D+00  0.803256D+01 -0.302851D+01 -0.704652D-01
      2   0.224781D+01  0.157332D+01 -0.302851D+01  0.223240D+01  0.263837D-01
      3   0.157332D+01  0.967360D+00 -0.704652D-01  0.263837D-01  0.941648D+00
               166           167           168           169           170 
      1  -0.503491D+01  0.280616D+01  0.340323D+00  0.123038D+01 -0.107536D+00
      2   0.280616D+01 -0.236661D+01  0.274738D+00 -0.107536D+00  0.501950D+00
      3   0.340323D+00  0.274738D+00 -0.739657D+00  0.102877D+01 -0.249497D+00
               171 
      1   0.102877D+01
      2  -0.249497D+00
      3  -0.446226D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.292995D+01  0.242038D+01  0.113324D+01  0.307381D+01  0.230371D+01
      2  -0.818054D+01  0.824505D+00  0.126030D+01  0.175357D+01 -0.901307D+01
      3  -0.119387D+02  0.638073D+01  0.315649D+01  0.137322D+02  0.777204D+01
                 6             7             8             9            10 
      1   0.643964D+00  0.206670D+01  0.435366D+01  0.729057D-02  0.356470D+01
      2  -0.933054D+01 -0.691092D+01 -0.101468D+02  0.191271D+02  0.827372D+01
      3   0.572965D+01  0.929476D+00  0.684981D+01  0.893292D+01  0.440454D+01
                11            12            13            14            15 
      1  -0.527460D+00 -0.211435D+00 -0.403320D+00  0.349795D+01 -0.238233D+01
      2  -0.922068D+00  0.380880D+01 -0.205525D+01  0.452708D+01  0.411032D+01
      3  -0.256884D+01 -0.200290D+01  0.389367D+01 -0.686942D+01 -0.555309D+01
                16            17            18            19            20 
      1   0.106000D+00  0.417637D+01 -0.286585D+01 -0.363188D+01  0.109613D+01
      2  -0.353067D+01  0.479581D+01 -0.429730D+01 -0.160769D+01  0.106528D+01
      3  -0.242811D+01 -0.449275D+01 -0.480870D+01  0.172405D+01 -0.372376D+01
                21            22            23            24            25 
      1  -0.967347D+00  0.398015D+00  0.147161D+01  0.156710D+01 -0.158836D+01
      2   0.556420D+00  0.551778D+01 -0.232009D+01  0.258963D+01 -0.356423D+01
      3   0.949618D+00  0.479941D+00 -0.308981D+01  0.161132D+01 -0.160094D+01
                26            27            28            29            30 
      1   0.583502D+01  0.564473D+00  0.131958D+01  0.128191D+01  0.201227D+00
      2   0.931719D+00 -0.215954D+01 -0.536854D+01  0.452049D+00 -0.462656D+01
      3   0.132331D+01  0.900071D+00 -0.855610D+01  0.332918D+00 -0.105626D+01
                31            32            33            34            35 
      1   0.269045D+01 -0.565668D+01  0.710532D+01  0.122293D+01  0.675781D+01
      2   0.632562D+01  0.417748D+00 -0.255995D+01 -0.187035D+02 -0.250922D+01
      3   0.566025D+00  0.130832D+02  0.236993D+00 -0.275674D+01  0.135581D-01
                36            37            38            39            40 
      1   0.534341D+01 -0.157866D+01 -0.273233D+01  0.238924D+01 -0.190984D+01
      2   0.380886D+01  0.496075D+00  0.259331D+01  0.899605D+01  0.200214D+01
      3   0.851892D+00 -0.334035D+01 -0.153516D+02 -0.144976D+01 -0.126890D+02
                41            42            43            44            45 
      1  -0.220744D+01 -0.393835D+01  0.216558D-01  0.225085D+01 -0.149855D+01
      2   0.244550D+01  0.116356D+01  0.688083D+01  0.425142D+00 -0.551352D+01
      3  -0.134090D+02 -0.201228D+01 -0.664576D+00 -0.604282D+00  0.844315D+00
                46            47            48            49            50 
      1   0.506653D+01 -0.514389D+01 -0.558066D+00 -0.438157D+01 -0.380490D+01
      2  -0.599762D+01 -0.104942D+02  0.104073D+02 -0.853443D+01 -0.138990D+01
      3  -0.845368D+01 -0.449012D+01  0.551632D+01 -0.872416D+00  0.370996D+01
                51            52            53            54            55 
      1  -0.129418D+02 -0.130860D+01 -0.763005D+01 -0.212056D+01  0.984365D+00
      2  -0.308384D+01  0.277862D+01 -0.340912D+01  0.201389D+01  0.526754D+00
      3   0.559472D+01  0.421545D+01  0.502690D+01  0.425054D+01 -0.311526D+01
                56            57            58            59            60 
      1  -0.391731D+01  0.655638D+01 -0.400983D+01 -0.815845D+01 -0.492019D+01
      2   0.215119D+01  0.637953D+01 -0.461384D+00  0.424045D+00 -0.163073D+01
      3  -0.121295D+02 -0.222421D+01  0.117153D+01 -0.434695D+01  0.196022D+01
                61            62            63            64            65 
      1   0.735453D+01  0.458752D+01  0.548354D+01  0.247887D+00  0.876839D+00
      2  -0.159118D+01 -0.119405D+01  0.220522D+01  0.137252D+01  0.569010D+00
      3   0.695780D+00  0.429763D+01 -0.622026D+01 -0.107935D+01 -0.530518D+01
                66            67            68            69            70 
      1  -0.244810D+01  0.253867D+00  0.518533D+01 -0.103277D+02 -0.509200D+00
      2   0.506674D+01 -0.666596D+01  0.118772D+01  0.529593D+01  0.138541D+01
      3  -0.906599D+00  0.951533D+01 -0.200063D+02 -0.223253D+01  0.145573D+01
                71            72            73            74            75 
      1   0.202429D+01 -0.218839D+01  0.572369D+00 -0.501586D+00  0.712560D-01
      2   0.562182D+01  0.292206D+01  0.118726D+01 -0.201306D+00  0.180527D+00
      3  -0.220425D+01 -0.555924D+01  0.640295D+00 -0.368434D+00 -0.518194D+00
                76            77            78            79            80 
      1  -0.258231D+00 -0.194320D+01 -0.805005D+00  0.293748D+00  0.278423D+01
      2  -0.377727D+00  0.484693D+00 -0.359383D+00 -0.372444D+01  0.456620D-01
      3   0.155849D+01  0.363839D+00 -0.315641D+00 -0.876534D+00 -0.498820D+00
                81            82            83            84            85 
      1   0.209830D+01 -0.101625D+01  0.136471D+00 -0.245821D+00 -0.222738D+00
      2   0.891167D+00 -0.300508D+01 -0.277843D+00 -0.195065D+00 -0.183684D+01
      3  -0.641486D-01  0.299682D+01  0.610294D+00  0.121476D+01  0.497119D+01
                86            87            88            89            90 
      1   0.103296D+01 -0.336938D+01  0.469329D-01  0.747585D+00 -0.969043D+00
      2  -0.282635D+01 -0.324438D+01 -0.300579D+01 -0.268488D+01 -0.236772D+01
      3   0.791677D+01  0.361033D+01  0.271058D+01  0.351871D+01  0.319103D+01
                91            92            93            94            95 
      1   0.136831D+01  0.178326D+01  0.149647D+01  0.198112D+01  0.259312D+01
      2  -0.236599D+01 -0.231207D+01 -0.169532D+01 -0.258566D+01 -0.465503D+01
      3   0.619601D+01  0.916848D+01  0.951928D+00  0.134631D+02  0.185717D+02
                96            97            98            99           100 
      1  -0.416373D+00  0.142851D+01  0.170730D+01 -0.274022D+00 -0.312757D+01
      2  -0.377855D+01 -0.215381D+01 -0.269990D+01 -0.143540D+01 -0.195026D+01
      3   0.340904D+01  0.164678D+01  0.261467D+01  0.485373D+00  0.211165D+01
               101           102           103           104           105 
      1   0.123667D+01 -0.551580D+01  0.110599D+01 -0.236831D+01  0.406705D+00
      2  -0.252895D-01 -0.106364D+01  0.272215D+00 -0.113344D+01  0.748415D+00
      3   0.263441D-02  0.271997D+01  0.585774D+00  0.123272D+01  0.400503D-01
               106           107           108           109           110 
      1  -0.638738D+01  0.152809D+01 -0.119477D+02  0.119189D+01  0.280407D+01
      2  -0.450750D+01  0.631515D+00 -0.238156D+01  0.450228D+00 -0.306027D+00
      3   0.632186D+01 -0.599061D+00  0.540660D+01  0.440318D+01  0.371144D+01
               111           112           113           114           115 
      1  -0.271832D+01  0.340279D+01  0.521302D+01 -0.449823D+01 -0.268709D+01
      2   0.215311D+00 -0.293427D+00 -0.376885D+00  0.675813D+00 -0.997032D+00
      3  -0.973588D+00  0.933784D+01  0.714505D+01 -0.213264D+01 -0.459326D+01
               116           117           118           119           120 
      1  -0.364508D+01  0.303307D+01 -0.175878D+01 -0.229586D+01 -0.182615D+01
      2   0.203175D+00 -0.234572D+00  0.123035D+02  0.485378D+01 -0.375538D+01
      3  -0.353737D+01  0.211875D+01  0.100002D+02  0.296423D+01 -0.329907D+01
               121           122           123           124           125 
      1  -0.131013D+01 -0.146700D+01  0.159332D-01 -0.405136D+00  0.229178D+01
      2   0.525784D+01  0.343268D+01 -0.186389D+01 -0.530081D+01 -0.219279D+01
      3   0.573190D+01  0.302965D+01 -0.264850D+01 -0.257127D+01 -0.152994D+01
               126           127           128           129           130 
      1   0.775096D+00 -0.316784D+01  0.455141D+01  0.161856D+01  0.333516D+01
      2   0.339427D+01 -0.486431D+01  0.320917D+01  0.232504D+01  0.439527D+01
      3   0.263097D+01 -0.126439D+01 -0.293379D+01  0.313693D-01  0.164252D+01
               131           132           133           134           135 
      1  -0.406390D+01 -0.626296D+00  0.750096D-01  0.198813D+01 -0.953507D-01
      2  -0.172459D+01 -0.130262D+01 -0.145346D+01  0.252111D+00 -0.980389D-01
      3   0.338126D+01 -0.157765D+01 -0.686149D+00 -0.111571D+01 -0.225912D+00
               136           137           138           139           140 
      1   0.159767D+01  0.203794D+01  0.143822D+01  0.989727D+00  0.113580D+02
      2   0.411592D+00  0.273371D+00  0.572190D+00 -0.164327D+01  0.268567D+01
      3  -0.400586D+00 -0.212780D+01 -0.166431D+01  0.669144D+00 -0.712149D+01
               141           142           143           144           145 
      1   0.510993D+01  0.138943D+01  0.823783D+01  0.658135D+01  0.188135D+00
      2   0.427075D+01 -0.237276D+01  0.199975D+01  0.434725D+01 -0.241527D+01
      3  -0.333443D+01 -0.778307D+00 -0.358670D+01 -0.339877D+01  0.285658D+00
               146           147           148           149           150 
      1   0.385349D-01 -0.126914D+00 -0.350299D+00 -0.140788D+01 -0.509674D+00
      2  -0.448247D-01  0.229596D+00  0.478706D-01 -0.214296D+01  0.481966D+01
      3  -0.984128D+00 -0.310584D+00 -0.491521D+00 -0.290756D+01  0.273664D+01
               151           152           153           154           155 
      1  -0.837773D-01  0.377116D+01  0.881879D+00 -0.107380D+01 -0.137792D+01
      2  -0.100250D+01  0.523890D+01 -0.229772D+02  0.327469D+01  0.196293D+01
      3  -0.302016D+00  0.417530D+01 -0.542241D+01 -0.302138D+01 -0.448204D+01
               156           157           158           159           160 
      1  -0.108069D+01 -0.147213D+01 -0.410667D+01 -0.426741D+01 -0.936506D+00
      2   0.221449D+01  0.175492D+01  0.674623D+01  0.659227D+01  0.965781D+00
      3  -0.918100D+00 -0.235613D+01 -0.162931D+02 -0.511435D+01 -0.722629D+00
               161           162           163           164           165 
      1  -0.964158D+00 -0.233070D+01  0.218328D+01 -0.176726D+01  0.794059D+00
      2   0.522325D+01  0.394043D+01  0.638201D+01 -0.265990D+01  0.503827D+01
      3  -0.767290D+01 -0.455429D+01  0.833567D+01 -0.971729D+01  0.696168D-01
               166           167           168           169           170 
      1  -0.183584D+01  0.181762D+01 -0.176069D+01 -0.276906D-01  0.209428D+00
      2  -0.287327D+01  0.323093D+01 -0.311248D+01  0.252222D+01 -0.604128D+00
      3  -0.662387D+01  0.790955D+01 -0.108660D+01  0.487395D-02 -0.197812D+01
               171 
      1   0.235276D+00
      2  -0.106637D+00
      3   0.641274D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.108308D+02  0.254649D+02 -0.122858D+02  0.304353D+02 -0.169627D+02
      2   0.231040D+01 -0.142119D+02  0.566152D+01 -0.167578D+02  0.263936D+01
      3   0.852042D+01 -0.112530D+02  0.662427D+01 -0.136775D+02  0.143234D+02
      4   0.278237D+02 -0.143357D+02 -0.538499D+01 -0.219994D+02 -0.118749D+02
      5  -0.109223D+02 -0.844450D+01  0.485802D+01 -0.103158D+02 -0.100699D+02
      6  -0.499102D+01  0.209323D+01 -0.304417D-01  0.163231D+01 -0.893864D+00
                 6             7             8             9            10 
      1  -0.890258D+01 -0.151780D+02 -0.631582D+01  0.115219D+02 -0.749664D+01
      2  -0.269629D+01  0.402383D+01 -0.480022D+01  0.800930D+01  0.225532D+01
      3   0.115989D+02  0.111542D+02  0.111160D+02 -0.195312D+02  0.524132D+01
      4  -0.116146D+02 -0.467650D+01 -0.135533D+02 -0.133277D+02 -0.122732D+02
      5  -0.138863D+02 -0.167898D+00 -0.143020D+02  0.283179D+02  0.125839D+02
      6  -0.490399D+00 -0.103062D+01 -0.399020D+00  0.568582D+01 -0.508354D+01
                11            12            13            14            15 
      1  -0.114233D+02  0.106887D+02 -0.157091D+02  0.110367D+02  0.712223D+01
      2   0.575122D+01 -0.720929D+01  0.799054D+01 -0.883585D+01 -0.112316D+02
      3   0.567211D+01 -0.347941D+01  0.771852D+01 -0.220083D+01  0.410935D+01
      4   0.446159D+01  0.171992D+01  0.116104D+02  0.561036D+01  0.600924D+01
      5   0.352386D+01 -0.151091D+01  0.733952D+01  0.681795D+01  0.795411D+01
      6   0.185192D+01 -0.670531D+00  0.100602D+01 -0.105856D+02 -0.347561D+01
                16            17            18            19            20 
      1   0.146159D+02  0.564569D+01  0.487513D+01 -0.799920D+01 -0.120470D+01
      2  -0.727513D+01 -0.361052D+01 -0.519654D+01  0.107281D+02  0.773385D+00
      3  -0.734079D+01 -0.203517D+01  0.321414D+00 -0.272888D+01  0.431319D+00
      4   0.569176D+01  0.538335D+01  0.967786D+01 -0.163837D+01  0.483933D+01
      5  -0.107607D+00  0.957582D+01 -0.108988D+02 -0.305270D+01  0.349884D+00
      6   0.100960D+01 -0.596241D+01  0.165819D+01  0.429519D+01 -0.293646D+01
                21            22            23            24            25 
      1  -0.117642D-01  0.862429D+01  0.393815D+01 -0.146513D+01 -0.529434D+01
      2   0.222864D+01 -0.333534D+01 -0.661553D+01 -0.357789D+01  0.397756D+01
      3  -0.221688D+01 -0.528895D+01  0.267737D+01  0.504301D+01  0.131678D+01
      4   0.183289D+01 -0.806832D+01  0.759851D+01  0.118998D+01 -0.498250D+01
      5   0.264516D+00 -0.248781D+01  0.586904D+00  0.406891D+01 -0.100666D+01
      6   0.870262D+00 -0.872092D+00  0.760633D+00 -0.610899D+01 -0.128819D+01
                26            27            28            29            30 
      1  -0.649322D+00  0.106491D+02 -0.670577D+01  0.135475D+02  0.281133D+01
      2  -0.100409D+02  0.817648D+01  0.636986D+00 -0.107911D+02 -0.713425D+01
      3   0.106902D+02 -0.188256D+02  0.606878D+01 -0.275638D+01  0.432293D+01
      4   0.161377D+01 -0.568833D+00  0.748485D+01 -0.898986D+01 -0.345420D+01
      5  -0.188744D+01  0.108782D+01  0.411192D+01 -0.353590D+01 -0.789008D+01
      6  -0.359636D+01  0.926941D+01 -0.156616D+01 -0.292519D+01 -0.112403D+01
                31            32            33            34            35 
      1   0.127212D+01  0.657330D+01  0.256267D+01  0.374076D+01 -0.267319D+01
      2  -0.408938D+01 -0.158965D+02  0.539254D+01 -0.424560D+01 -0.126662D+01
      3   0.281726D+01  0.932323D+01 -0.795521D+01  0.504839D+00  0.393981D+01
      4  -0.197369D+02 -0.243444D+02 -0.572556D+01 -0.105457D+02 -0.253560D+01
      5  -0.102645D+02 -0.784007D+01 -0.551216D+01 -0.127658D+00 -0.369819D+01
      6  -0.346851D+01 -0.860126D+01 -0.112783D+02 -0.318266D+01  0.201481D+01
                36            37            38            39            40 
      1  -0.488618D+01  0.517960D+02 -0.842976D+01 -0.572832D+01  0.736434D+01
      2  -0.274599D+01 -0.310031D+02  0.230852D+01  0.709105D+01 -0.819673D+01
      3   0.763218D+01 -0.207929D+02  0.612124D+01 -0.136273D+01  0.832399D+00
      4  -0.440113D+01 -0.177514D+02  0.161067D+02  0.258082D+01  0.174447D+02
      5   0.443661D+01 -0.985521D+01  0.164030D+01  0.167019D+02  0.469360D+00
      6  -0.719100D+01 -0.772237D+00  0.102581D+00 -0.284314D+01 -0.171546D+01
                41            42            43            44            45 
      1   0.129013D+02 -0.112954D+00 -0.321907D+01  0.357384D+01  0.691240D+01
      2  -0.617654D+01 -0.192946D+01  0.299260D+01 -0.242194D+01 -0.105349D+02
      3  -0.672480D+01  0.204242D+01  0.226473D+00 -0.115190D+01  0.362246D+01
      4   0.209592D+00 -0.474454D+00  0.484983D+01 -0.747284D+00 -0.338299D+01
      5  -0.104878D+00 -0.575862D+00  0.157355D+02 -0.357342D+01 -0.120210D+02
      6  -0.124337D+01  0.634372D+01 -0.110528D+01  0.425506D+01  0.163510D+01
                46            47            48            49            50 
      1   0.894460D+01  0.152046D+02 -0.106550D+02  0.140766D+02 -0.341407D+01
      2  -0.993193D+01 -0.810165D+00  0.620634D+01  0.159087D+00  0.648930D+01
      3   0.987330D+00 -0.143945D+02  0.444865D+01 -0.142357D+02 -0.307523D+01
      4   0.131891D+02 -0.183584D+02  0.619804D+01 -0.191346D+02  0.438619D+01
      5  -0.758363D+01  0.101283D+02 -0.567132D+01  0.843020D+01 -0.141610D+02
      6   0.174693D+02 -0.581703D+01 -0.342847D+01 -0.637171D+01  0.215544D+01
                51            52            53            54            55 
      1   0.346862D+01 -0.829461D+01  0.209987D+01 -0.642378D+01  0.168928D+02
      2   0.135739D+02  0.439741D+01  0.101629D+02  0.207400D+01 -0.137726D+02
      3  -0.170426D+02  0.389720D+01 -0.122628D+02  0.434978D+01 -0.312022D+01
      4  -0.938524D+01  0.366628D+01 -0.585766D+01 -0.987397D+01 -0.109822D+01
      5  -0.107390D+02 -0.731586D+01 -0.112115D+02  0.640667D+01 -0.933520D+00
      6  -0.823818D+01 -0.358307D+01 -0.560265D+01 -0.113833D+02 -0.109564D+01
                56            57            58            59            60 
      1   0.870030D+01  0.522278D-01  0.627265D+01 -0.895699D+01 -0.641646D+01
      2  -0.153093D+02  0.413703D+01 -0.142286D+02  0.107196D+02  0.102514D+02
      3   0.660903D+01 -0.418926D+01  0.795600D+01 -0.176258D+01 -0.383499D+01
      4  -0.419750D+01 -0.160823D+01  0.172588D+01 -0.152054D+02 -0.698775D-01
      5   0.194274D+00  0.221700D+01  0.743107D+00 -0.888465D+00 -0.286422D+01
      6   0.266066D+01 -0.850757D+01  0.161946D+01  0.133582D+02  0.617617D+01
                61            62            63            64            65 
      1  -0.270724D+01 -0.774730D+01  0.934086D+00  0.103167D+02  0.531855D+01
      2   0.718585D+01  0.145140D+02  0.122185D+01 -0.213302D+01  0.174585D+01
      3  -0.447861D+01 -0.676668D+01 -0.215593D+01 -0.818373D+01 -0.706440D+01
      4   0.155821D+00  0.109252D+01 -0.868934D+01  0.163855D+02  0.193036D+02
      5   0.329784D+01 -0.211374D+01 -0.402305D+01  0.700204D+01  0.600386D+01
      6  -0.940944D+01  0.216886D+01 -0.484479D+01  0.361518D+01  0.356461D+01
                66            67            68            69            70 
      1   0.106993D+01  0.839546D+01 -0.213321D+02 -0.616509D+01  0.317048D+01
      2  -0.788454D+00  0.213723D+01  0.400546D+02  0.156606D+01 -0.991811D+00
      3  -0.281475D+00 -0.105327D+02 -0.187225D+02  0.459903D+01 -0.217867D+01
      4   0.510605D+01  0.253704D+02  0.461150D+02  0.958483D+01  0.586921D+01
      5   0.943587D+01  0.723955D+01  0.115330D+02  0.116061D+02  0.104675D+02
      6   0.449511D+01  0.577195D+01  0.136146D+02  0.174917D+02  0.561794D+01
                71            72            73            74            75 
      1  -0.445553D+01 -0.554677D+01  0.102052D+01  0.573997D+00 -0.376296D+00
      2   0.236906D+01  0.421727D+00 -0.377240D+01 -0.625882D+00 -0.436850D+00
      3   0.208647D+01  0.512505D+01  0.275188D+01  0.518845D-01  0.813146D+00
      4   0.707184D+01  0.128027D+02 -0.330037D+00  0.185087D+01 -0.201768D+01
      5   0.131661D+02  0.104208D+02  0.340249D+00 -0.140036D+01  0.574209D+01
      6   0.143080D+02  0.986980D+01 -0.210941D+01  0.904101D+00 -0.710001D-01
                76            77            78            79            80 
      1   0.435668D+00 -0.558606D+01  0.343280D+01  0.601024D+00  0.566736D+01
      2   0.237985D+00  0.183065D+01 -0.584260D+00  0.326543D+00  0.612873D+00
      3  -0.673653D+00  0.375542D+01 -0.284854D+01 -0.927567D+00 -0.628024D+01
      4   0.267476D+01 -0.122254D+01  0.600434D+00 -0.425904D+00  0.968404D+00
      5  -0.604281D+00  0.139050D+00 -0.861048D+00  0.543513D+01  0.215013D+00
      6   0.100806D+01 -0.419002D+01  0.906822D+01  0.299333D+00  0.780988D+01
                81            82            83            84            85 
      1  -0.193873D+02 -0.682946D-01 -0.964629D+00 -0.274954D+01 -0.290501D+01
      2  -0.135846D+02  0.238090D+01  0.784287D+00  0.203025D+01  0.224519D+01
      3   0.329719D+02 -0.231261D+01  0.180342D+00  0.719295D+00  0.659824D+00
      4  -0.461844D+00  0.479915D-01  0.338603D+01  0.134726D+01  0.247945D+01
      5   0.119104D+01 -0.194213D+01  0.129440D+01  0.197777D+01  0.947726D+00
      6  -0.140634D+02  0.293833D+01  0.439002D+00  0.707419D+00  0.571384D+00
                86            87            88            89            90 
      1  -0.139472D+02 -0.511244D+01 -0.448485D+01 -0.654917D+01 -0.754965D+01
      2   0.184797D+02  0.737097D+01  0.244183D+01  0.436732D+01  0.222412D+01
      3  -0.453252D+01 -0.225853D+01  0.204302D+01  0.218185D+01  0.532553D+01
      4  -0.117635D+02 -0.481596D+01 -0.463268D+00 -0.527719D+01 -0.439707D+01
      5  -0.484727D+01 -0.655304D+01  0.270448D+01 -0.471373D+01 -0.390869D+01
      6   0.124932D+02  0.101365D+02  0.964396D+00  0.106821D+02  0.941646D+01
                91            92            93            94            95 
      1  -0.113181D+02 -0.419270D+01  0.104517D-01 -0.183463D+02 -0.622441D+01
      2   0.106973D+02  0.822353D+00  0.921216D-02  0.108827D+02  0.907786D+01
      3   0.620777D+00  0.337034D+01 -0.196639D-01  0.746360D+01 -0.285345D+01
      4  -0.553362D+01  0.150157D+01  0.267791D+00  0.704948D+01 -0.168373D+02
      5   0.486656D+00  0.672813D+00 -0.138968D+01  0.301663D+01 -0.334813D+01
      6   0.115086D+01 -0.755172D+00 -0.229456D+01 -0.775101D+00  0.295158D+01
                96            97            98            99           100 
      1   0.268727D-01 -0.179197D+01 -0.160047D+01 -0.679148D+00 -0.111255D+01
      2   0.663271D+00  0.148032D+01  0.130848D+01 -0.460804D+00  0.221505D+00
      3  -0.690144D+00  0.311653D+00  0.291990D+00  0.113995D+01  0.891048D+00
      4  -0.433571D+01  0.108215D+01 -0.343935D+01 -0.378824D+01  0.151750D+01
      5  -0.554402D+01  0.400112D+01 -0.326903D+01 -0.325489D+01  0.224577D+01
      6   0.194038D+01 -0.189713D+01  0.311488D+01  0.191202D+01  0.325128D+01
               101           102           103           104           105 
      1  -0.260606D+01 -0.166940D+01 -0.536189D-01 -0.200190D+01 -0.150495D+01
      2   0.372392D+01 -0.615674D+00  0.991836D+00  0.209901D+01  0.201212D+01
      3  -0.111786D+01  0.228508D+01 -0.938217D+00 -0.971064D-01 -0.507167D+00
      4   0.393733D+01  0.304851D+01  0.343801D+01  0.139465D+01  0.191411D+01
      5   0.793644D+00  0.347747D+01  0.588750D+00  0.202412D+01  0.975342D+00
      6   0.283945D+01  0.658838D+01  0.238747D+01  0.161862D+01  0.346522D+01
               106           107           108           109           110 
      1  -0.181710D+01 -0.504681D+01 -0.805729D+01 -0.234857D+01 -0.756137D+01
      2  -0.243222D+01  0.587857D+01 -0.454145D+01  0.676228D+01  0.154624D+02
      3   0.424931D+01 -0.831756D+00  0.125987D+02 -0.441371D+01 -0.790098D+01
      4   0.647797D+01  0.262959D+01  0.564381D+01  0.514402D+01  0.971166D+01
      5   0.402840D+01  0.103724D+01  0.528069D+01 -0.142283D+01 -0.113834D+01
      6   0.627709D+01  0.605959D+01  0.164934D+02 -0.244496D+01 -0.405503D+01
               111           112           113           114           115 
      1   0.570945D+00 -0.667718D+01 -0.183981D+02  0.345488D+01  0.307568D+01
      2  -0.286110D+01  0.132682D+02  0.343062D+02 -0.707458D+01 -0.509644D+01
      3   0.229016D+01 -0.659100D+01 -0.159082D+02  0.361970D+01  0.202076D+01
      4  -0.179302D+01  0.106691D+02  0.123323D+02 -0.333742D+01 -0.356916D+01
      5   0.209335D+01  0.137893D+00 -0.152052D+01  0.834905D+00  0.190053D+01
      6   0.321812D+01 -0.414553D+01 -0.902040D+01  0.663730D+01  0.416625D+01
               116           117           118           119           120 
      1   0.841137D+01 -0.494254D+01 -0.102040D+02 -0.979990D+01  0.112928D+02
      2  -0.136934D+02  0.610168D+01  0.568908D+01  0.649841D+01 -0.143831D+01
      3   0.528199D+01 -0.115914D+01  0.451495D+01  0.330149D+01 -0.985454D+01
      4  -0.491826D+01  0.340317D+01  0.688150D+01  0.428879D+01 -0.253674D+01
      5   0.162261D+01 -0.107903D+01 -0.938896D+01 -0.404977D+01  0.323580D+01
      6   0.102128D+02 -0.626276D+01 -0.829575D+01 -0.818990D+01  0.888486D+01
               121           122           123           124           125 
      1  -0.832036D+01 -0.906959D+01  0.663933D+01  0.724392D+01  0.534357D+01
      2   0.558831D+01  0.804655D+01 -0.381975D+01 -0.711652D+00 -0.254410D+01
      3   0.273206D+01  0.102303D+01 -0.281958D+01 -0.653227D+01 -0.279947D+01
      4   0.600910D+01  0.784454D+00  0.196868D+00 -0.224004D+01 -0.637707D+00
      5  -0.498637D+01 -0.340687D+00  0.137137D+01  0.579559D+01  0.243930D+01
      6  -0.512027D+01 -0.890724D+01  0.847201D+01  0.604539D+01  0.708570D+01
               126           127           128           129           130 
      1  -0.835866D+01  0.166848D+02 -0.734856D+01  0.223454D+01 -0.722481D+01
      2  -0.982012D+00 -0.397998D+01 -0.308617D+01 -0.310752D+01 -0.310103D+01
      3   0.934067D+01 -0.127048D+02  0.104347D+02  0.872981D+00  0.103258D+02
      4   0.284552D+01 -0.232499D+02  0.209110D+02 -0.826055D+01  0.200384D+02
      5  -0.298921D+01  0.174187D+02 -0.121966D+02  0.122076D+02 -0.114200D+02
      6  -0.639677D+01 -0.112540D+02  0.111831D+02 -0.716381D+01  0.930146D+01
               131           132           133           134           135 
      1  -0.689599D+00  0.145920D+01  0.390140D+00  0.104177D+01  0.134983D+00
      2   0.108629D+02 -0.177132D+01 -0.208391D+01 -0.669967D-01 -0.183062D+01
      3  -0.101733D+02  0.312122D+00  0.169377D+01 -0.974771D+00  0.169564D+01
      4  -0.221024D+02  0.821710D+01 -0.373800D+01  0.421817D+01 -0.529664D+01
      5   0.117964D+02 -0.688784D+01  0.861066D+01 -0.522843D+01  0.572333D+01
      6  -0.137381D+02  0.998473D+01 -0.525975D+01  0.763332D+01 -0.446012D+01
               136           137           138           139           140 
      1   0.143415D+01  0.772504D+00  0.248876D+01  0.232678D+01 -0.212005D+01
      2  -0.309103D+01 -0.287586D+01 -0.470039D+01 -0.455282D+01 -0.399379D+01
      3   0.165688D+01  0.210335D+01  0.221163D+01  0.222605D+01  0.611384D+01
      4   0.111697D+01  0.539179D+01  0.912467D+00  0.440676D+01  0.809693D+01
      5   0.610447D+01  0.260637D+01  0.844412D+01  0.606474D+01  0.797499D+01
      6   0.366295D+00  0.304938D+01  0.151058D+01  0.226354D+01  0.113718D+02
               141           142           143           144           145 
      1  -0.516682D+01  0.188080D+01 -0.291013D+01 -0.775007D+01  0.206300D+01
      2  -0.104424D+02 -0.432396D+01 -0.712252D+01 -0.129635D+02 -0.338175D+01
      3   0.156092D+02  0.244316D+01  0.100327D+02  0.207136D+02  0.131876D+01
      4   0.595900D+01  0.251047D+00  0.510460D+01  0.515204D+01 -0.692157D+00
      5   0.125262D+02  0.747050D+01  0.642407D+01  0.132406D+02 -0.381550D+01
      6   0.780699D+01  0.130320D+01  0.904713D+01  0.659613D+01 -0.722911D+00
               146           147           148           149           150 
      1  -0.584617D+00 -0.529783D+01 -0.720627D+00 -0.561523D+00  0.288348D+01
      2   0.337115D+00  0.251433D+01 -0.107495D+00 -0.716947D+00  0.167849D+01
      3   0.247502D+00  0.278350D+01  0.828122D+00  0.127847D+01 -0.456198D+01
      4   0.252160D+01 -0.108239D+01  0.539832D+01  0.516173D+01 -0.555471D+01
      5  -0.742362D+00  0.613313D+01 -0.198581D+01 -0.533361D+01  0.920143D+01
      6  -0.180433D+00  0.386750D+00 -0.154117D+01 -0.351536D+01  0.809589D+01
               151           152           153           154           155 
      1  -0.855209D+01  0.309578D+01 -0.132336D+02  0.100877D+02  0.470157D+01
      2   0.870761D+01  0.181995D+01 -0.192537D+02 -0.221294D+01  0.308823D+00
      3  -0.155525D+00 -0.491573D+01  0.324873D+02 -0.787478D+01 -0.501039D+01
      4  -0.292227D+01 -0.697346D+01  0.867252D+01  0.616718D+01  0.120572D+02
      5   0.149868D+02  0.942160D+01 -0.442334D+02  0.312365D+01  0.312855D+01
      6   0.963820D+00  0.777679D+01 -0.821872D+01  0.127205D+01 -0.512725D+00
               156           157           158           159           160 
      1   0.395361D+01  0.106632D+02  0.574389D+01  0.178192D+01  0.105112D+02
      2  -0.934536D+00 -0.205683D+01  0.948321D+01  0.355395D+01 -0.423422D+01
      3  -0.301908D+01 -0.860641D+01 -0.152271D+02 -0.533587D+01 -0.627700D+01
      4   0.411746D+01  0.169757D+02  0.295808D+02  0.830041D+01  0.706903D+01
      5   0.316001D+01  0.189668D+01  0.807043D+01  0.105932D+02  0.464128D+01
      6   0.444247D+00 -0.188893D+00  0.434898D+00  0.340014D+01  0.165250D+01
               161           162           163           164           165 
      1   0.307115D+01  0.476149D-01  0.569472D+02 -0.199795D+02  0.730130D+00
      2   0.274741D+01 -0.410159D+00 -0.274549D+02  0.909978D+01  0.783229D+00
      3  -0.581856D+01  0.362544D+00 -0.294923D+02  0.108797D+02 -0.151336D+01
      4   0.126172D+02  0.841054D+01 -0.230498D+02  0.176419D+02  0.428624D+00
      5   0.883032D+01  0.612700D+01 -0.665343D+01  0.259364D+01  0.834753D+01
      6   0.323378D+01  0.228775D+01  0.397716D+01 -0.331610D+01 -0.972172D+00
               166           167           168           169           170 
      1  -0.300040D+02  0.143845D+02  0.106638D+01  0.754456D+01 -0.950686D+00
      2   0.131139D+02 -0.248100D+01 -0.103919D+01 -0.270340D+01  0.838575D+00
      3   0.168900D+02 -0.119035D+02 -0.271901D-01 -0.484116D+01  0.112111D+00
      4   0.222263D+02 -0.177784D+02  0.118868D+01 -0.154973D+01  0.324038D+01
      5   0.519045D+01 -0.488323D+00 -0.570801D+01  0.822797D+01 -0.259302D+01
      6  -0.351574D+01  0.335815D+01  0.240676D+01 -0.140174D+01  0.218728D+01
               171 
      1   0.385021D+01
      2  -0.361442D+01
      3  -0.235790D+00
      4  -0.242042D+01
      5  -0.197730D+01
      6  -0.581295D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 19:53:37 2021, MaxMem=  5368709120 cpu:            5152.8 elap:             645.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.18427 -19.13035 -14.35571 -10.31109 -10.24205
 Alpha  occ. eigenvalues --  -10.20341 -10.18890 -10.18679  -1.10551  -1.02465
 Alpha  occ. eigenvalues --   -0.92810  -0.81348  -0.71791  -0.70458  -0.60918
 Alpha  occ. eigenvalues --   -0.58674  -0.55073  -0.52040  -0.48734  -0.46394
 Alpha  occ. eigenvalues --   -0.46029  -0.44123  -0.42156  -0.41719  -0.40069
 Alpha  occ. eigenvalues --   -0.38009  -0.35804  -0.35177  -0.34927  -0.31794
 Alpha  occ. eigenvalues --   -0.30667  -0.26442
 Alpha virt. eigenvalues --   -0.03061  -0.00705  -0.00108   0.00568   0.00967
 Alpha virt. eigenvalues --    0.02513   0.02708   0.03150   0.03646   0.04083
 Alpha virt. eigenvalues --    0.05602   0.06188   0.06919   0.07339   0.07815
 Alpha virt. eigenvalues --    0.08929   0.09197   0.09576   0.09724   0.10099
 Alpha virt. eigenvalues --    0.10243   0.11178   0.11301   0.12100   0.12381
 Alpha virt. eigenvalues --    0.12918   0.13420   0.13500   0.14199   0.14502
 Alpha virt. eigenvalues --    0.14875   0.15164   0.15940   0.16901   0.17932
 Alpha virt. eigenvalues --    0.18618   0.19773   0.19910   0.20173   0.21084
 Alpha virt. eigenvalues --    0.21815   0.21945   0.22685   0.23349   0.24008
 Alpha virt. eigenvalues --    0.24116   0.25830   0.26339   0.26646   0.27712
 Alpha virt. eigenvalues --    0.28426   0.28553   0.28867   0.30196   0.30955
 Alpha virt. eigenvalues --    0.31830   0.32443   0.33169   0.34234   0.34583
 Alpha virt. eigenvalues --    0.35454   0.36246   0.36802   0.37100   0.37188
 Alpha virt. eigenvalues --    0.37901   0.38682   0.39166   0.39644   0.40687
 Alpha virt. eigenvalues --    0.42297   0.42570   0.43142   0.43650   0.44873
 Alpha virt. eigenvalues --    0.45466   0.46077   0.46852   0.47138   0.48116
 Alpha virt. eigenvalues --    0.49189   0.49865   0.50528   0.50849   0.51764
 Alpha virt. eigenvalues --    0.52989   0.53798   0.53990   0.54793   0.56985
 Alpha virt. eigenvalues --    0.57324   0.58845   0.59733   0.60031   0.60504
 Alpha virt. eigenvalues --    0.61252   0.62132   0.63043   0.63375   0.65105
 Alpha virt. eigenvalues --    0.65942   0.66585   0.67547   0.68236   0.69287
 Alpha virt. eigenvalues --    0.69618   0.71380   0.72222   0.72946   0.73913
 Alpha virt. eigenvalues --    0.74160   0.74934   0.76225   0.78505   0.79086
 Alpha virt. eigenvalues --    0.79418   0.81054   0.81611   0.82648   0.82719
 Alpha virt. eigenvalues --    0.85231   0.86430   0.87706   0.88836   0.90728
 Alpha virt. eigenvalues --    0.92781   0.94052   0.94910   0.97039   0.98787
 Alpha virt. eigenvalues --    0.99225   1.01409   1.02052   1.03005   1.04484
 Alpha virt. eigenvalues --    1.06080   1.07519   1.09484   1.10299   1.11738
 Alpha virt. eigenvalues --    1.12824   1.14132   1.15106   1.16190   1.20451
 Alpha virt. eigenvalues --    1.21858   1.22442   1.25109   1.28387   1.29629
 Alpha virt. eigenvalues --    1.31933   1.32900   1.34095   1.37365   1.37957
 Alpha virt. eigenvalues --    1.40251   1.41432   1.44736   1.46287   1.47996
 Alpha virt. eigenvalues --    1.51858   1.53029   1.53603   1.54854   1.57399
 Alpha virt. eigenvalues --    1.59808   1.60144   1.62446   1.65229   1.66630
 Alpha virt. eigenvalues --    1.67032   1.68384   1.71764   1.72355   1.75115
 Alpha virt. eigenvalues --    1.78369   1.79208   1.79623   1.80766   1.83714
 Alpha virt. eigenvalues --    1.84096   1.84422   1.85231   1.88540   1.90122
 Alpha virt. eigenvalues --    1.91734   1.93413   1.95797   1.96729   1.99183
 Alpha virt. eigenvalues --    2.00057   2.02229   2.04238   2.04901   2.07375
 Alpha virt. eigenvalues --    2.08429   2.10728   2.12039   2.13504   2.14311
 Alpha virt. eigenvalues --    2.16232   2.17411   2.19355   2.21768   2.22781
 Alpha virt. eigenvalues --    2.26505   2.27876   2.29446   2.30267   2.32134
 Alpha virt. eigenvalues --    2.33107   2.34961   2.38081   2.39965   2.43857
 Alpha virt. eigenvalues --    2.46162   2.49874   2.51536   2.52262   2.53088
 Alpha virt. eigenvalues --    2.55768   2.59780   2.61905   2.63325   2.67212
 Alpha virt. eigenvalues --    2.67703   2.69575   2.74833   2.76422   2.79125
 Alpha virt. eigenvalues --    2.84760   2.90871   2.95564   2.98968   3.02441
 Alpha virt. eigenvalues --    3.07551   3.14031   3.25394   3.30407   3.37426
 Alpha virt. eigenvalues --    3.39616   3.41914   3.42951   3.45251   3.47275
 Alpha virt. eigenvalues --    3.51163   3.56921   3.63626   3.77412   3.87696
 Alpha virt. eigenvalues --    3.99892
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.036708  -0.205120   0.226920  -0.233226   0.022097  -0.264651
     2  C   -0.205120   8.829345  -1.327630   0.283226  -0.077386  -0.348082
     3  C    0.226920  -1.327630   9.367069  -1.489344   0.368805  -0.345088
     4  C   -0.233226   0.283226  -1.489344   7.239179  -0.427709  -0.074003
     5  O    0.022097  -0.077386   0.368805  -0.427709   8.455922   0.022481
     6  C   -0.264651  -0.348082  -0.345088  -0.074003   0.022481   4.922085
     7  N   -0.023095   0.011762  -0.477900   0.101138  -0.077664  -0.049209
     8  O    0.008670  -0.023221   0.075605   0.079408  -0.062301   0.037430
     9  H   -0.125867   0.420840  -1.211002  -0.094802  -0.000093   0.162939
    10  H   -0.104575  -1.792828   0.385309  -0.175703   0.007442   0.238162
    11  H   -0.010870   0.039220  -0.204309   0.024871   0.213245  -0.017497
    12  H    0.000688  -0.076647  -0.161961   0.041493  -0.005565   0.023919
    13  H    0.001324   0.003369   0.183334  -0.047200   0.003969  -0.009674
    14  H   -0.117899   0.393973  -0.197034   0.003039   0.003462   0.087024
    15  H    0.151291   0.063353   0.051629  -0.027938   0.000957  -0.017411
    16  H   -0.144470  -0.202470  -0.035194   0.077087  -0.001456   0.300736
    17  H    0.001302   0.308020  -0.169043   0.037392  -0.000009  -0.014109
    18  H    0.348070  -0.195686   0.085180  -0.014795   0.002315  -0.157565
    19  H   -0.012675   0.247413   0.052097  -0.027000   0.000350   0.059405
               7          8          9         10         11         12
     1  C   -0.023095   0.008670  -0.125867  -0.104575  -0.010870   0.000688
     2  C    0.011762  -0.023221   0.420840  -1.792828   0.039220  -0.076647
     3  C   -0.477900   0.075605  -1.211002   0.385309  -0.204309  -0.161961
     4  C    0.101138   0.079408  -0.094802  -0.175703   0.024871   0.041493
     5  O   -0.077664  -0.062301  -0.000093   0.007442   0.213245  -0.005565
     6  C   -0.049209   0.037430   0.162939   0.238162  -0.017497   0.023919
     7  N    6.958279  -0.018705   0.135807   0.058611   0.094121   0.392604
     8  O   -0.018705   8.424745   0.022368   0.001530   0.009597   0.003701
     9  H    0.135807   0.022368   2.279460  -0.042328   0.005863   0.041785
    10  H    0.058611   0.001530  -0.042328   3.198786   0.006502  -0.008389
    11  H    0.094121   0.009597   0.005863   0.006502   0.668931  -0.008388
    12  H    0.392604   0.003701   0.041785  -0.008389  -0.008388   0.937514
    13  H    0.225742   0.000857  -0.119194  -0.002404  -0.005433  -0.177590
    14  H    0.038060   0.020739   0.027178  -0.057155  -0.002044  -0.013381
    15  H    0.013431   0.009148  -0.000743  -0.109490   0.001691  -0.000756
    16  H   -0.064145  -0.009729   0.006609   0.140791  -0.003826   0.016072
    17  H    0.048260  -0.001235  -0.035872  -0.084724   0.000099   0.010175
    18  H    0.015735  -0.000405  -0.036699   0.145803   0.001409  -0.010391
    19  H   -0.038621   0.001498   0.022453  -0.129691  -0.001407  -0.009628
              13         14         15         16         17         18
     1  C    0.001324  -0.117899   0.151291  -0.144470   0.001302   0.348070
     2  C    0.003369   0.393973   0.063353  -0.202470   0.308020  -0.195686
     3  C    0.183334  -0.197034   0.051629  -0.035194  -0.169043   0.085180
     4  C   -0.047200   0.003039  -0.027938   0.077087   0.037392  -0.014795
     5  O    0.003969   0.003462   0.000957  -0.001456  -0.000009   0.002315
     6  C   -0.009674   0.087024  -0.017411   0.300736  -0.014109  -0.157565
     7  N    0.225742   0.038060   0.013431  -0.064145   0.048260   0.015735
     8  O    0.000857   0.020739   0.009148  -0.009729  -0.001235  -0.000405
     9  H   -0.119194   0.027178  -0.000743   0.006609  -0.035872  -0.036699
    10  H   -0.002404  -0.057155  -0.109490   0.140791  -0.084724   0.145803
    11  H   -0.005433  -0.002044   0.001691  -0.003826   0.000099   0.001409
    12  H   -0.177590  -0.013381  -0.000756   0.016072   0.010175  -0.010391
    13  H    0.949021   0.001429  -0.000232  -0.003398  -0.000307  -0.011059
    14  H    0.001429   1.954317  -0.468081  -0.359480  -0.025356   0.003503
    15  H   -0.000232  -0.468081   2.157798  -0.493351   0.036481  -0.013822
    16  H   -0.003398  -0.359480  -0.493351   2.126826   0.000717  -0.024335
    17  H   -0.000307  -0.025356   0.036481   0.000717   2.042128  -0.406089
    18  H   -0.011059   0.003503  -0.013822  -0.024335  -0.406089   1.964360
    19  H    0.003721   0.018069  -0.020576  -0.011941  -0.446614  -0.463668
              19
     1  C   -0.012675
     2  C    0.247413
     3  C    0.052097
     4  C   -0.027000
     5  O    0.000350
     6  C    0.059405
     7  N   -0.038621
     8  O    0.001498
     9  H    0.022453
    10  H   -0.129691
    11  H   -0.001407
    12  H   -0.009628
    13  H    0.003721
    14  H    0.018069
    15  H   -0.020576
    16  H   -0.011941
    17  H   -0.446614
    18  H   -0.463668
    19  H    2.039005
 Mulliken charges:
               1
     1  C    1.445377
     2  C   -0.351453
     3  C    0.822558
     4  C    0.724886
     5  O   -0.448862
     6  C    1.443106
     7  N   -0.344210
     8  O   -0.579698
     9  H   -0.458700
    10  H   -0.675653
    11  H    0.188226
    12  H    0.004744
    13  H    0.003726
    14  H   -0.310363
    15  H   -0.333379
    16  H   -0.315042
    17  H   -0.301216
    18  H   -0.231858
    19  H   -0.282190
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.630113
     2  C   -1.027106
     3  C    0.363858
     4  C    0.724886
     5  O   -0.260635
     6  C    0.484322
     7  N   -0.335740
     8  O   -0.579698
 Electronic spatial extent (au):  <R**2>=           1056.3949
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.9592    Y=              3.4096    Z=              0.3935  Tot=              5.2398
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -57.9534   YY=            -50.5512   ZZ=            -48.5156
   XY=             -3.8057   XZ=             -0.3378   YZ=             -1.6985
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -5.6133   YY=              1.7889   ZZ=              3.8245
   XY=             -3.8057   XZ=             -0.3378   YZ=             -1.6985
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              7.2405  YYY=             15.9208  ZZZ=             -1.5036  XYY=              6.0311
  XXY=              5.8784  XXZ=              0.5775  XZZ=             -3.6334  YZZ=              4.6760
  YYZ=              3.0397  XYZ=              2.8095
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -875.1785 YYYY=           -336.6703 ZZZZ=           -216.8540 XXXY=            -20.4704
 XXXZ=              3.7149 YYYX=             -3.4082 YYYZ=             -3.6879 ZZZX=             -1.2649
 ZZZY=              5.7958 XXYY=           -196.9185 XXZZ=           -175.4898 YYZZ=            -91.1644
 XXYZ=             -0.4346 YYXZ=             -4.7012 ZZXY=              0.4357
 N-N= 4.085089379299D+02 E-N=-1.756176040814D+03  KE= 4.000081037427D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 19:53:38 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.54786413D+00 1.36513306D+00 1.64282711D-01
 Polarizability= 8.07011080D+01-4.57700373D-03 7.52912426D+01
                -1.85131322D+00 1.27549900D+00 6.61927954D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.0770    1.0764        0.0717    0.0708
 2     -1.0770   -1.0764       -0.7111   -0.7110       -3.2740   -3.2740
 3     -0.0717   -0.0708        8.3712    8.3717        0.7135    0.7110
 4      0.7111    0.7110       -0.0000    0.0000       -0.0721   -0.0708
 5     -5.0972   -5.0977        0.0721    0.0708        1.0787    1.0764
 6     -0.7135   -0.7110       -1.0787   -1.0764        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -3.2293   -3.2293        0.2125    0.2125
 2      2.1330    2.1330        0.0000    0.0000        0.2125    0.2125
 3      2.1330    2.1330       -3.2293   -3.2293        0.0000    0.0000
 4     -3.2293   -3.2293       -2.1330   -2.1330       -9.8221   -9.8221
 5     -0.2125   -0.2125       25.1151   25.1151        2.1330    2.1330
 6    -15.2930  -15.2930        0.2125    0.2125        3.2293    3.2293
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0017    0.0000       -4.3263   -4.3057       -0.2582   -0.2833
 2      4.2837    4.3057        2.8406    2.8441       13.0056   13.0961
 3      0.3021    0.2833      -33.4429  -33.4868       -2.8636   -2.8441
 4     -2.8520   -2.8441       -0.0119    0.0000        0.3181    0.2833
 5     20.3948   20.3907       -0.2643   -0.2833       -4.2887   -4.3057
 6      2.8373    2.8441        4.3135    4.3057       -0.0031    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0152    0.0000        8.4773    8.5281       -2.8520   -2.8169
 2     -8.5182   -8.5281       17.8443   17.8090       18.1411   18.0942
 3      2.8109    2.8169       17.1076   17.0929      -17.8282  -17.8090
 4    -17.8454  -17.8090       -0.0167    0.0000        2.8127    2.8169
 5    -35.2685  -35.1871       -2.8660   -2.8169        8.3918    8.5281
 6     17.8127   17.8090       -8.4898   -8.5281        0.0537    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -10.6287  -10.5813        3.2829    3.2620       -2.6883   -2.7079
 2    -38.2816  -38.2287        7.7458    7.7618       -2.7313   -2.7079
 3    -38.3184  -38.2287        3.2416    3.2620       -3.0182   -3.0210
 4     -4.4517   -4.4998       27.7170   27.6474       21.0675   21.0311
 5     -0.3792   -0.3131       32.9338   32.9252      -27.6145  -27.6474
 6    -54.0840  -53.9563        0.1959    0.3131        4.2868    4.4998
 Full mass-weighted force constant matrix:
 Low frequencies ---  -10.6347   -7.7866   -0.0011    0.0003    0.0004    3.9761
 Low frequencies ---   56.7213   83.2177  184.4170
 Diagonal vibrational polarizability:
       22.1512913      14.3772525      19.8281115
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     56.6886                83.2172               184.4165
 Red. masses --      4.8505                 2.7862                 3.4542
 Frc consts  --      0.0092                 0.0114                 0.0692
 IR Inten    --      0.6144                 3.1886                 7.5720
 RamAct Fr= 1--      0.9408                 0.6182                 0.5092
  Dep-P Fr= 1--      0.7464                 0.7198                 0.6880
  Dep-U Fr= 1--      0.8548                 0.8370                 0.8151
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.0006
 Beta2  Fr= 1--      0.1340                 0.0862                 0.0692
 AlphaG Fr= 1--     -0.0006                -0.0013                 0.0019
 Gamma2 Fr= 1--      0.2365                 0.2944                 0.3060
 Delta2 Fr= 1--      0.1000                 0.1975                 0.0404
 Raman1 Fr= 1--       3.763                  2.473                  2.037
 ROA1   Fr= 1--      25.908                 34.583                 30.670
 CID1   Fr= 1--       6.885                 13.986                 15.058
 Raman2 Fr= 1--       1.608                  1.035                  0.830
 ROA2   Fr= 1--       4.876                  5.486                  7.021
 CID2   Fr= 1--       3.032                  5.301                  8.457
 Raman3 Fr= 1--       3.217                  2.070                  1.660
 ROA3   Fr= 1--      25.908                 34.583                 30.670
 CID3   Fr= 1--       8.054                 16.708                 18.473
 RC180  Fr= 1--       0.710                  0.674                  0.630
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.06   0.05    -0.03  -0.14  -0.15     0.03  -0.15  -0.03
     2   6    -0.02   0.00   0.04    -0.01  -0.01   0.06    -0.07   0.05  -0.07
     3   6    -0.00  -0.00  -0.07     0.00   0.02   0.07    -0.01   0.14  -0.04
     4   6     0.01  -0.01  -0.03    -0.01   0.00  -0.04     0.07   0.02   0.01
     5   8     0.13  -0.13   0.31    -0.05  -0.02  -0.07     0.00  -0.09   0.03
     6   6    -0.10   0.12   0.08     0.12   0.16   0.10    -0.21   0.01  -0.07
     7   7     0.01   0.03  -0.13    -0.03  -0.03   0.15    -0.04   0.09   0.04
     8   8    -0.06   0.06  -0.26     0.01   0.02  -0.12     0.23  -0.02   0.09
     9   1     0.03  -0.09  -0.09     0.04   0.08   0.09    -0.03   0.20  -0.03
    10   1    -0.01  -0.04   0.11    -0.12  -0.06   0.18    -0.18   0.08  -0.08
    11   1     0.15  -0.15   0.34    -0.05  -0.04   0.02    -0.11  -0.03   0.01
    12   1     0.27   0.16  -0.26    -0.07  -0.09   0.17    -0.10   0.02   0.07
    13   1    -0.27   0.08  -0.30    -0.01   0.01   0.22     0.01   0.12   0.12
    14   1    -0.12   0.16   0.08     0.08   0.36   0.28    -0.35   0.28  -0.09
    15   1    -0.12   0.11   0.17     0.02   0.04   0.08    -0.43  -0.25  -0.06
    16   1    -0.11   0.16   0.03     0.35   0.21  -0.04     0.05  -0.06  -0.07
    17   1     0.07  -0.16   0.03    -0.10  -0.33  -0.19     0.12  -0.21  -0.05
    18   1    -0.01  -0.01  -0.03     0.04  -0.04  -0.34     0.13  -0.15  -0.07
    19   1    -0.00  -0.05   0.16    -0.04  -0.13  -0.09    -0.08  -0.27   0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --    223.9321               246.5923               270.7235
 Red. masses --      1.1411                 1.0783                 1.9389
 Frc consts  --      0.0337                 0.0386                 0.0837
 IR Inten    --      0.8081                 0.2752                 4.9524
 RamAct Fr= 1--      0.1064                 0.0762                 0.4383
  Dep-P Fr= 1--      0.6145                 0.5631                 0.2128
  Dep-U Fr= 1--      0.7612                 0.7205                 0.3510
 Alpha2 Fr= 1--      0.0003                 0.0003                 0.0058
 Beta2  Fr= 1--      0.0135                 0.0091                 0.0256
 AlphaG Fr= 1--      0.0006                -0.0013                 0.0040
 Gamma2 Fr= 1--     -0.0076                -0.0281                -0.2675
 Delta2 Fr= 1--      0.0144                 0.0100                -0.0633
 Raman1 Fr= 1--       0.426                  0.305                  1.753
 ROA1   Fr= 1--      -0.267                 -2.384                -27.706
 CID1   Fr= 1--      -0.628                 -7.825                -15.803
 Raman2 Fr= 1--       0.162                  0.110                  0.308
 ROA2   Fr= 1--      -0.297                 -0.755                 -5.914
 CID2   Fr= 1--      -1.835                 -6.881                -19.221
 Raman3 Fr= 1--       0.324                  0.220                  0.615
 ROA3   Fr= 1--      -0.267                 -2.384                -27.706
 CID3   Fr= 1--      -0.825                -10.860                -45.025
 RC180  Fr= 1--       0.522                  0.441                 -0.298
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.03     0.01   0.01   0.04     0.02   0.04  -0.00
     2   6     0.01  -0.00  -0.02     0.00   0.00   0.00     0.01  -0.00  -0.07
     3   6     0.00  -0.02  -0.02    -0.01  -0.01  -0.00     0.01  -0.03  -0.07
     4   6    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.00  -0.02  -0.03
     5   8     0.02   0.02   0.00    -0.01  -0.00   0.00     0.07   0.02   0.03
     6   6    -0.00  -0.01  -0.02     0.04   0.01   0.00    -0.11   0.15  -0.02
     7   7     0.01  -0.04   0.01    -0.01   0.01  -0.03     0.04  -0.11   0.06
     8   8    -0.04  -0.01   0.02    -0.02  -0.01  -0.01    -0.06  -0.03   0.03
     9   1    -0.01  -0.00  -0.02    -0.00  -0.03  -0.01    -0.01   0.07  -0.05
    10   1     0.05  -0.00  -0.03     0.01   0.01  -0.00     0.08  -0.04  -0.02
    11   1     0.05   0.01  -0.00    -0.01  -0.00  -0.01     0.08   0.03  -0.07
    12   1     0.01  -0.07   0.01    -0.03   0.02  -0.02    -0.29  -0.36   0.21
    13   1     0.02  -0.03   0.03     0.01  -0.01  -0.04     0.43  -0.17   0.33
    14   1    -0.14   0.33   0.08    -0.08   0.35   0.15    -0.11   0.13  -0.07
    15   1    -0.25  -0.30  -0.08    -0.20  -0.29  -0.09    -0.08   0.23   0.17
    16   1     0.37  -0.07  -0.06     0.45  -0.04  -0.06    -0.23   0.24  -0.10
    17   1     0.16  -0.27  -0.06    -0.09   0.40   0.13     0.01   0.20   0.04
    18   1    -0.27   0.27  -0.21     0.20  -0.21   0.33     0.05  -0.06   0.14
    19   1     0.09   0.26   0.41    -0.05  -0.14  -0.31     0.01  -0.00  -0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    292.1084               311.5377               363.4823
 Red. masses --      1.4215                 2.8254                 3.3522
 Frc consts  --      0.0715                 0.1616                 0.2609
 IR Inten    --     13.1367                 7.1082                 9.8872
 RamAct Fr= 1--      0.7380                 0.8726                 0.9320
  Dep-P Fr= 1--      0.2382                 0.3352                 0.4142
  Dep-U Fr= 1--      0.3848                 0.5021                 0.5857
 Alpha2 Fr= 1--      0.0090                 0.0080                 0.0066
 Beta2  Fr= 1--      0.0473                 0.0730                 0.0910
 AlphaG Fr= 1--      0.0118                -0.0035                 0.0039
 Gamma2 Fr= 1--     -0.2823                 0.3051                -0.3057
 Delta2 Fr= 1--     -0.1647                 0.0108                -0.0408
 Raman1 Fr= 1--       2.952                  3.490                  3.728
 ROA1   Fr= 1--     -32.373                 29.632                -30.651
 CID1   Fr= 1--     -10.967                  8.489                 -8.221
 Raman2 Fr= 1--       0.568                  0.876                  1.092
 ROA2   Fr= 1--      -5.457                  7.235                 -7.011
 CID2   Fr= 1--      -9.610                  8.256                 -6.421
 Raman3 Fr= 1--       1.136                  1.753                  2.184
 ROA3   Fr= 1--     -32.373                 29.632                -30.651
 CID3   Fr= 1--     -28.504                 16.908                -14.036
 RC180  Fr= 1--      -0.230                  0.004                  0.171
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.02     0.22  -0.11   0.08    -0.05   0.02  -0.10
     2   6    -0.00   0.01  -0.02     0.06   0.07  -0.07     0.02   0.01   0.08
     3   6     0.00  -0.01  -0.00    -0.01   0.03  -0.03     0.04  -0.03  -0.01
     4   6     0.00  -0.02  -0.00    -0.05  -0.02  -0.00     0.07  -0.01  -0.04
     5   8     0.02   0.03  -0.06     0.00   0.03   0.00     0.24   0.12  -0.01
     6   6    -0.07   0.05  -0.00     0.08   0.05  -0.09    -0.05  -0.09   0.07
     7   7     0.06  -0.06   0.10    -0.17  -0.01   0.05    -0.25  -0.02   0.01
     8   8    -0.00  -0.03   0.03    -0.12  -0.02   0.04     0.00  -0.02   0.01
     9   1    -0.02   0.02   0.01    -0.05   0.08  -0.02     0.15  -0.01  -0.00
    10   1     0.01  -0.00  -0.00     0.04   0.08  -0.09    -0.01   0.02   0.08
    11   1     0.15  -0.07   0.15     0.09  -0.01   0.03     0.43   0.08  -0.14
    12   1     0.66   0.06  -0.20    -0.04   0.04  -0.01    -0.36   0.05   0.07
    13   1    -0.56   0.14  -0.17    -0.42   0.13   0.03    -0.33   0.09   0.09
    14   1    -0.10   0.09  -0.04     0.13  -0.04  -0.09    -0.11  -0.06  -0.04
    15   1    -0.10   0.02   0.06     0.15   0.13  -0.10    -0.12  -0.18   0.05
    16   1    -0.07   0.05  -0.01     0.00   0.06  -0.08    -0.03  -0.17   0.17
    17   1    -0.07   0.12   0.00     0.49  -0.16   0.05    -0.29   0.01  -0.09
    18   1     0.02  -0.02   0.04     0.29  -0.13   0.09     0.02   0.04  -0.16
    19   1    -0.01   0.01  -0.12     0.06  -0.26   0.28     0.00   0.05  -0.28
                     10                     11                     12
                      A                      A                      A
 Frequencies --    413.8798               520.2719               545.0772
 Red. masses --      2.7281                 4.4491                 3.9565
 Frc consts  --      0.2753                 0.7095                 0.6926
 IR Inten    --      1.5002                 1.9851                 2.9371
 RamAct Fr= 1--      2.3315                 1.8038                 2.5679
  Dep-P Fr= 1--      0.0893                 0.5969                 0.4838
  Dep-U Fr= 1--      0.1640                 0.7476                 0.6521
 Alpha2 Fr= 1--      0.0419                 0.0051                 0.0137
 Beta2  Fr= 1--      0.0637                 0.2247                 0.2791
 AlphaG Fr= 1--     -0.0116                -0.0105                 0.0241
 Gamma2 Fr= 1--     -0.2850                 0.8445                -1.0071
 Delta2 Fr= 1--     -0.0387                 0.0663                 0.0005
 Raman1 Fr= 1--       9.326                  7.215                 10.271
 ROA1   Fr= 1--     -28.603                 83.194                -96.662
 CID1   Fr= 1--      -3.067                 11.531                 -9.411
 Raman2 Fr= 1--       0.765                  2.697                  3.349
 ROA2   Fr= 1--      -6.531                 19.738                -24.173
 CID2   Fr= 1--      -8.543                  7.319                 -7.218
 Raman3 Fr= 1--       1.529                  5.394                  6.698
 ROA3   Fr= 1--     -28.603                 83.194                -96.662
 CID3   Fr= 1--     -18.707                 15.424                -14.432
 RC180  Fr= 1--      -0.672                  0.495                  0.304
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.16   0.05  -0.14     0.05   0.00  -0.01    -0.07  -0.03   0.04
     2   6     0.16   0.08   0.05     0.09  -0.19  -0.10    -0.06  -0.02  -0.08
     3   6     0.05  -0.02   0.10    -0.01  -0.16   0.11    -0.00  -0.01   0.24
     4   6    -0.01  -0.05   0.07     0.02   0.08   0.20     0.07  -0.17   0.16
     5   8    -0.09  -0.05  -0.01    -0.11   0.11   0.03     0.14   0.02  -0.09
     6   6    -0.12  -0.04   0.04    -0.04   0.04  -0.06    -0.03   0.06  -0.13
     7   7     0.03   0.05  -0.02    -0.14  -0.13  -0.05     0.04   0.18   0.02
     8   8    -0.11  -0.00  -0.02     0.19   0.15  -0.08    -0.08  -0.09  -0.10
     9   1    -0.02  -0.07   0.09    -0.20  -0.24   0.09    -0.23  -0.01   0.24
    10   1     0.18   0.09   0.02     0.12  -0.17  -0.12    -0.18   0.04  -0.14
    11   1    -0.17  -0.02  -0.00    -0.05   0.09   0.05     0.22   0.00  -0.18
    12   1    -0.06   0.13   0.03    -0.18   0.09  -0.01    -0.13   0.42   0.12
    13   1     0.14  -0.04  -0.06    -0.28  -0.10  -0.13     0.21  -0.05  -0.16
    14   1    -0.29   0.08  -0.27    -0.13   0.21  -0.07    -0.02   0.11  -0.03
    15   1    -0.29  -0.21   0.20    -0.10   0.04   0.29    -0.01   0.11  -0.01
    16   1    -0.17  -0.14   0.19    -0.11   0.22  -0.28    -0.05   0.18  -0.28
    17   1    -0.03  -0.06  -0.16     0.09   0.12   0.01     0.08   0.02   0.05
    18   1     0.32   0.10  -0.28    -0.15  -0.02   0.11    -0.18  -0.05   0.13
    19   1     0.15   0.01  -0.26     0.16   0.13  -0.02    -0.07  -0.01   0.16
                     13                     14                     15
                      A                      A                      A
 Frequencies --    608.0886               734.0025               810.7170
 Red. masses --      2.6355                 6.0022                 2.4912
 Frc consts  --      0.5742                 1.9053                 0.9647
 IR Inten    --      9.9354                 8.8088                35.9143
 RamAct Fr= 1--      1.7109                 8.6457                 3.4421
  Dep-P Fr= 1--      0.1335                 0.0304                 0.0921
  Dep-U Fr= 1--      0.2356                 0.0591                 0.1686
 Alpha2 Fr= 1--      0.0276                 0.1789                 0.0614
 Beta2  Fr= 1--      0.0672                 0.0851                 0.0967
 AlphaG Fr= 1--      0.0196                -0.0014                -0.0761
 Gamma2 Fr= 1--      0.1218                -0.6748                 0.0221
 Delta2 Fr= 1--      0.1475                -0.1172                 0.0114
 Raman1 Fr= 1--       6.844                 34.583                 13.769
 ROA1   Fr= 1--      16.416                -68.533                  2.486
 CID1   Fr= 1--       2.399                 -1.982                  0.181
 Raman2 Fr= 1--       0.806                  1.022                  1.161
 ROA2   Fr= 1--       1.744                -15.258                  0.440
 CID2   Fr= 1--       2.164                -14.933                  0.379
 Raman3 Fr= 1--       1.613                  2.044                  2.322
 ROA3   Fr= 1--      16.416                -68.533                  2.486
 CID3   Fr= 1--      10.181                -33.536                  1.070
 RC180  Fr= 1--      -0.529                 -0.882                 -0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.00    -0.12  -0.03   0.05     0.07   0.01  -0.04
     2   6    -0.07   0.21   0.05    -0.06   0.14   0.04    -0.01  -0.08  -0.07
     3   6    -0.14  -0.06   0.01     0.12  -0.01  -0.03    -0.10   0.05  -0.14
     4   6    -0.04  -0.06   0.10     0.32   0.06   0.22     0.07  -0.04   0.14
     5   8     0.01   0.11   0.00     0.05  -0.19  -0.14     0.03  -0.01  -0.07
     6   6    -0.00   0.01   0.00    -0.02   0.05  -0.06     0.00  -0.06   0.15
     7   7     0.03  -0.10  -0.03    -0.04  -0.18  -0.07    -0.07   0.11   0.04
     8   8     0.10  -0.03  -0.08    -0.15   0.23   0.05    -0.02   0.03  -0.02
     9   1    -0.31  -0.15  -0.01    -0.05  -0.16  -0.06    -0.38   0.04  -0.15
    10   1     0.04   0.16   0.08    -0.07   0.12   0.07    -0.03  -0.11  -0.01
    11   1     0.21   0.04  -0.02    -0.39  -0.07   0.13     0.04  -0.09   0.27
    12   1     0.13  -0.25  -0.09    -0.10  -0.19  -0.04     0.34  -0.33  -0.18
    13   1     0.23  -0.23  -0.04    -0.21  -0.00   0.05     0.33  -0.07   0.11
    14   1     0.04  -0.11  -0.05     0.04  -0.08  -0.08     0.04  -0.06   0.26
    15   1     0.01  -0.04  -0.29     0.01   0.02  -0.35     0.04  -0.01   0.16
    16   1     0.07  -0.19   0.25     0.06  -0.11   0.12     0.03  -0.01   0.09
    17   1     0.10  -0.15  -0.04    -0.11  -0.11   0.03     0.12   0.14  -0.02
    18   1     0.34   0.01  -0.12     0.04  -0.02  -0.02    -0.12  -0.01   0.06
    19   1    -0.20  -0.25   0.08    -0.23  -0.16   0.07     0.19   0.15  -0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    840.2984               876.6753               901.0411
 Red. masses --      2.1115                 1.2958                 1.8198
 Frc consts  --      0.8784                 0.5868                 0.8705
 IR Inten    --     49.1301                70.6109                59.7516
 RamAct Fr= 1--      5.1846                 1.7126                 3.2686
  Dep-P Fr= 1--      0.0325                 0.4963                 0.6765
  Dep-U Fr= 1--      0.0629                 0.6633                 0.8071
 Alpha2 Fr= 1--      0.1068                 0.0086                 0.0042
 Beta2  Fr= 1--      0.0544                 0.1893                 0.4397
 AlphaG Fr= 1--      0.0348                 0.0543                -0.0016
 Gamma2 Fr= 1--     -0.2065                -0.6858                 0.0158
 Delta2 Fr= 1--      0.0522                -0.4373                 0.0385
 Raman1 Fr= 1--      20.738                  6.850                 13.074
 ROA1   Fr= 1--     -18.151                -79.830                  2.747
 CID1   Fr= 1--      -0.875                -11.654                  0.210
 Raman2 Fr= 1--       0.653                  2.272                  5.276
 ROA2   Fr= 1--      -5.373                -12.962                  0.071
 CID2   Fr= 1--      -8.231                 -5.705                  0.013
 Raman3 Fr= 1--       1.305                  4.544                 10.552
 ROA3   Fr= 1--     -18.151                -79.830                  2.747
 CID3   Fr= 1--     -13.904                -17.568                  0.260
 RC180  Fr= 1--      -0.874                  0.327                  0.614
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.00    -0.04  -0.03   0.04     0.07   0.06  -0.07
     2   6    -0.00   0.01  -0.02     0.05   0.01   0.04    -0.10   0.01  -0.06
     3   6     0.08   0.10  -0.11     0.06  -0.00  -0.03    -0.05   0.01   0.09
     4   6    -0.02  -0.10   0.15    -0.02  -0.02   0.01    -0.01   0.04  -0.06
     5   8    -0.07   0.06   0.02    -0.04   0.04  -0.03     0.03  -0.03  -0.04
     6   6    -0.01  -0.01   0.05     0.01   0.02  -0.06    -0.03  -0.05   0.09
     7   7     0.10  -0.03  -0.04    -0.02   0.04  -0.02     0.06  -0.07  -0.06
     8   8     0.00  -0.05  -0.06     0.01  -0.03   0.00    -0.00   0.02   0.03
     9   1    -0.06   0.09  -0.11     0.08  -0.06  -0.03    -0.09   0.06   0.10
    10   1    -0.07  -0.01   0.03     0.05  -0.00   0.04    -0.15   0.06  -0.11
    11   1     0.07   0.05  -0.20     0.30  -0.28   0.82     0.19  -0.21   0.53
    12   1    -0.43   0.03   0.21    -0.09  -0.07   0.01    -0.41   0.20   0.18
    13   1    -0.46   0.50   0.27     0.15   0.03   0.11    -0.17   0.07  -0.04
    14   1     0.04  -0.07   0.09    -0.03   0.03  -0.16     0.04  -0.04   0.29
    15   1     0.02  -0.01  -0.05    -0.02  -0.01  -0.04     0.05   0.03   0.08
    16   1     0.03  -0.05   0.08    -0.02  -0.01  -0.01     0.03   0.05  -0.05
    17   1    -0.05   0.05   0.02    -0.18  -0.07   0.04     0.32   0.11  -0.07
    18   1    -0.14  -0.01   0.04    -0.04   0.00  -0.02     0.08  -0.01   0.03
    19   1     0.08   0.08  -0.04    -0.00   0.01  -0.04    -0.03  -0.04   0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    937.7901               971.2686               998.8809
 Red. masses --      1.1897                 1.4691                 2.0701
 Frc consts  --      0.6165                 0.8165                 1.2169
 IR Inten    --      1.4996                 1.6942                59.9589
 RamAct Fr= 1--      0.5150                 2.6681                 1.6474
  Dep-P Fr= 1--      0.5185                 0.7460                 0.7130
  Dep-U Fr= 1--      0.6829                 0.8545                 0.8324
 Alpha2 Fr= 1--      0.0023                 0.0002                 0.0011
 Beta2  Fr= 1--      0.0586                 0.3800                 0.2286
 AlphaG Fr= 1--      0.0041                -0.0006                -0.0132
 Gamma2 Fr= 1--      0.0151                 0.2636                 1.4082
 Delta2 Fr= 1--      0.1479                -0.0017                 0.9607
 Raman1 Fr= 1--       2.060                 10.672                  6.590
 ROA1   Fr= 1--       6.184                 25.251                165.928
 CID1   Fr= 1--       3.002                  2.366                 25.181
 Raman2 Fr= 1--       0.703                  4.560                  2.743
 ROA2   Fr= 1--      -0.820                  6.340                 26.110
 CID2   Fr= 1--      -1.166                  1.390                  9.520
 Raman3 Fr= 1--       1.407                  9.120                  5.485
 ROA3   Fr= 1--       6.184                 25.251                165.928
 CID3   Fr= 1--       4.396                  2.769                 30.250
 RC180  Fr= 1--       0.366                  0.709                  0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04   0.06    -0.12   0.02   0.02    -0.03   0.04  -0.07
     2   6    -0.02  -0.02   0.03     0.07   0.03  -0.06    -0.07   0.05  -0.04
     3   6     0.00   0.01  -0.02    -0.03   0.01  -0.03     0.22   0.00   0.01
     4   6     0.01  -0.01   0.02     0.00   0.00   0.01     0.03  -0.05   0.02
     5   8    -0.00   0.00  -0.00     0.01  -0.01  -0.01    -0.08   0.06   0.04
     6   6    -0.05  -0.06  -0.03     0.09  -0.06   0.05    -0.03  -0.04   0.05
     7   7     0.00   0.01   0.00     0.02   0.01   0.00    -0.08  -0.02  -0.00
     8   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.04  -0.02
     9   1     0.02  -0.00  -0.02    -0.08   0.01  -0.03     0.48  -0.03   0.00
    10   1     0.18   0.13  -0.26     0.26   0.08  -0.21    -0.27   0.18  -0.18
    11   1    -0.00   0.00  -0.01     0.00  -0.00  -0.01    -0.03   0.04   0.02
    12   1     0.01  -0.02  -0.00    -0.05  -0.01   0.03     0.26  -0.10  -0.16
    13   1    -0.01   0.02   0.02    -0.06   0.10   0.06     0.22  -0.23  -0.06
    14   1     0.08   0.02   0.42    -0.12   0.18  -0.18     0.02   0.01   0.24
    15   1     0.12   0.16   0.02    -0.06  -0.11   0.56     0.05   0.06   0.09
    16   1     0.09   0.20  -0.41    -0.15   0.09  -0.06     0.01   0.07  -0.11
    17   1    -0.33  -0.25   0.01     0.11  -0.13  -0.03     0.35   0.11  -0.07
    18   1     0.34   0.16  -0.27     0.20  -0.05   0.00     0.02  -0.07   0.10
    19   1    -0.01  -0.06  -0.18    -0.42  -0.31   0.17    -0.19  -0.10   0.18
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1036.9251              1085.8003              1163.0615
 Red. masses --      1.9089                 1.5880                 1.9981
 Frc consts  --      1.2093                 1.1030                 1.5925
 IR Inten    --      6.7725                 8.3868                 2.8017
 RamAct Fr= 1--      5.1388                 3.8835                 2.4401
  Dep-P Fr= 1--      0.3767                 0.7340                 0.5094
  Dep-U Fr= 1--      0.5472                 0.8466                 0.6750
 Alpha2 Fr= 1--      0.0413                 0.0011                 0.0115
 Beta2  Fr= 1--      0.4687                 0.5479                 0.2745
 AlphaG Fr= 1--     -0.0142                -0.0052                -0.0036
 Gamma2 Fr= 1--     -0.0337                 0.5119                 1.1857
 Delta2 Fr= 1--     -0.6687                 0.3588                 0.3912
 Raman1 Fr= 1--      20.555                 15.534                  9.760
 ROA1   Fr= 1--     -24.632                 60.623                126.348
 CID1   Fr= 1--      -1.198                  3.903                 12.945
 Raman2 Fr= 1--       5.624                  6.575                  3.294
 ROA2   Fr= 1--       4.541                  9.414                 25.328
 CID2   Fr= 1--       0.807                  1.432                  7.689
 Raman3 Fr= 1--      11.248                 13.151                  6.588
 ROA3   Fr= 1--     -24.632                 60.623                126.348
 CID3   Fr= 1--      -2.190                  4.610                 19.178
 RC180  Fr= 1--       0.094                  0.693                  0.350
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.07   0.03    -0.05  -0.04   0.05    -0.03  -0.11  -0.01
     2   6     0.03   0.06   0.03     0.08   0.02  -0.13     0.08   0.16  -0.07
     3   6    -0.04   0.18   0.07     0.04   0.03   0.01     0.03  -0.13   0.03
     4   6    -0.00  -0.01  -0.00     0.04  -0.01  -0.04    -0.07   0.04  -0.04
     5   8     0.01   0.01  -0.00    -0.03   0.03   0.02     0.02  -0.03  -0.00
     6   6     0.06  -0.05  -0.02    -0.03   0.03   0.09    -0.05  -0.03   0.05
     7   7    -0.01  -0.12  -0.07    -0.02  -0.05   0.01     0.01   0.05   0.01
     8   8    -0.01  -0.02  -0.00    -0.01  -0.02  -0.00     0.01   0.03   0.02
     9   1    -0.05   0.14   0.06    -0.26   0.47   0.10    -0.18  -0.44  -0.04
    10   1    -0.38   0.25  -0.14     0.28  -0.01  -0.15     0.01   0.31  -0.28
    11   1    -0.00   0.01  -0.01    -0.05   0.02   0.08     0.07  -0.03  -0.09
    12   1     0.11  -0.22  -0.14    -0.02   0.31   0.04     0.02  -0.18  -0.01
    13   1     0.06  -0.18  -0.09     0.08  -0.32  -0.29    -0.04   0.23   0.21
    14   1    -0.09   0.17  -0.12     0.07  -0.14   0.14     0.04  -0.02   0.27
    15   1    -0.01  -0.03   0.42     0.02   0.01  -0.22     0.09   0.11  -0.01
    16   1    -0.12   0.12  -0.16     0.10  -0.11   0.23     0.09   0.03  -0.06
    17   1    -0.25   0.04   0.07    -0.23  -0.10   0.04    -0.13   0.12   0.05
    18   1    -0.23   0.02  -0.00    -0.07   0.01  -0.03    -0.40  -0.08   0.10
    19   1     0.29   0.23  -0.12    -0.00  -0.01  -0.07     0.15   0.13   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1200.1039              1204.6202              1218.4120
 Red. masses --      1.9731                 2.0581                 2.4615
 Frc consts  --      1.6743                 1.7596                 2.1529
 IR Inten    --     11.3107                 5.1388                13.8535
 RamAct Fr= 1--      1.7873                 3.7885                 5.6088
  Dep-P Fr= 1--      0.7225                 0.7483                 0.2543
  Dep-U Fr= 1--      0.8389                 0.8561                 0.4055
 Alpha2 Fr= 1--      0.0008                 0.0001                 0.0657
 Beta2  Fr= 1--      0.2499                 0.5405                 0.3791
 AlphaG Fr= 1--      0.0056                -0.0003                 0.0236
 Gamma2 Fr= 1--     -1.9420                 0.0238                 0.8954
 Delta2 Fr= 1--     -0.4128                -0.8350                 0.5775
 Raman1 Fr= 1--       7.149                 15.154                 22.435
 ROA1   Fr= 1--    -199.641                -24.434                104.435
 CID1   Fr= 1--     -27.925                 -1.612                  4.655
 Raman2 Fr= 1--       2.999                  6.486                  4.549
 ROA2   Fr= 1--     -43.305                  7.251                 16.869
 CID2   Fr= 1--     -14.441                  1.118                  3.708
 Raman3 Fr= 1--       5.997                 12.973                  9.098
 ROA3   Fr= 1--    -199.641                -24.434                104.435
 CID3   Fr= 1--     -33.288                 -1.883                 11.479
 RC180  Fr= 1--       0.678                  0.712                 -0.189
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.03    -0.03  -0.05  -0.08     0.06   0.00   0.06
     2   6    -0.11   0.08  -0.02     0.07   0.09   0.14    -0.11   0.01  -0.07
     3   6     0.02  -0.12  -0.14    -0.09  -0.02  -0.08    -0.03  -0.09   0.01
     4   6    -0.07   0.01   0.07     0.12  -0.03  -0.03     0.22  -0.03  -0.12
     5   8     0.01  -0.04  -0.02    -0.03   0.05   0.02    -0.06   0.10   0.06
     6   6     0.08  -0.02   0.01    -0.04  -0.08  -0.06     0.06   0.02   0.03
     7   7     0.01   0.01   0.08     0.02  -0.01   0.04     0.02   0.04   0.02
     8   8     0.02   0.05   0.00    -0.01  -0.02  -0.01    -0.02  -0.07  -0.01
     9   1     0.23   0.20  -0.07    -0.06   0.14  -0.05    -0.17  -0.36  -0.06
    10   1    -0.21   0.11  -0.04     0.22  -0.01   0.26    -0.25   0.07  -0.12
    11   1     0.18  -0.08  -0.05    -0.24   0.09   0.15    -0.48   0.20   0.24
    12   1    -0.12   0.52   0.18    -0.11   0.30   0.13    -0.07  -0.03   0.05
    13   1     0.08  -0.27  -0.26    -0.03  -0.15  -0.18    -0.11   0.16   0.09
    14   1    -0.07   0.12  -0.15    -0.01   0.07   0.20    -0.04   0.06  -0.18
    15   1    -0.05  -0.11   0.25     0.11   0.11   0.06    -0.08  -0.12   0.13
    16   1    -0.17   0.04  -0.00     0.03   0.16  -0.40    -0.13  -0.04   0.16
    17   1    -0.17   0.01   0.05     0.21   0.20  -0.03    -0.21  -0.07   0.05
    18   1    -0.06   0.08  -0.09    -0.25  -0.15   0.20     0.04   0.12  -0.15
    19   1     0.18   0.11  -0.13     0.02   0.06   0.17     0.12   0.04  -0.16
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1283.0620              1354.2961              1370.4179
 Red. masses --      1.3086                 1.4808                 1.3611
 Frc consts  --      1.2693                 1.6002                 1.5061
 IR Inten    --      0.4390                 0.2728                 1.1677
 RamAct Fr= 1--      4.9071                 5.8649                 5.8644
  Dep-P Fr= 1--      0.6124                 0.6152                 0.7415
  Dep-U Fr= 1--      0.7596                 0.7618                 0.8516
 Alpha2 Fr= 1--      0.0124                 0.0145                 0.0008
 Beta2  Fr= 1--      0.6212                 0.7446                 0.8323
 AlphaG Fr= 1--     -0.0065                 0.0233                -0.0024
 Gamma2 Fr= 1--     -0.2575                -0.9521                -0.5631
 Delta2 Fr= 1--     -0.8496                -0.9628                -0.7336
 Raman1 Fr= 1--      19.628                 23.459                 23.458
 ROA1   Fr= 1--     -51.905               -122.206                -77.535
 CID1   Fr= 1--      -2.644                 -5.209                 -3.305
 Raman2 Fr= 1--       7.455                  8.935                  9.988
 ROA2   Fr= 1--       0.618                -15.147                 -7.647
 CID2   Fr= 1--       0.083                 -1.695                 -0.766
 Raman3 Fr= 1--      14.909                 17.870                 19.976
 ROA3   Fr= 1--     -51.905               -122.206                -77.535
 CID3   Fr= 1--      -3.481                 -6.839                 -3.881
 RC180  Fr= 1--       0.519                  0.524                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.00     0.03  -0.05  -0.03     0.02   0.01   0.04
     2   6     0.02  -0.01  -0.03    -0.17   0.03   0.02     0.02   0.08  -0.12
     3   6    -0.14   0.02   0.01     0.06   0.01   0.05    -0.02  -0.05   0.04
     4   6     0.03  -0.02   0.05    -0.00  -0.00  -0.01    -0.00  -0.00   0.01
     5   8     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.01   0.00  -0.00
     6   6    -0.01   0.04   0.02     0.04  -0.01  -0.01    -0.01  -0.05  -0.02
     7   7     0.01  -0.00  -0.00    -0.02   0.00  -0.03    -0.00   0.02  -0.03
     8   8    -0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     9   1     0.83  -0.09   0.00    -0.09   0.15   0.08     0.31   0.27   0.12
    10   1     0.27   0.12  -0.32     0.85  -0.13  -0.03    -0.08  -0.39   0.65
    11   1    -0.10   0.03   0.07     0.01  -0.00  -0.01    -0.08   0.03   0.03
    12   1    -0.04  -0.03   0.02     0.07  -0.13  -0.08     0.03  -0.18  -0.06
    13   1    -0.04   0.00  -0.03     0.00   0.09   0.11    -0.03   0.12   0.09
    14   1     0.04  -0.07   0.02    -0.04   0.11  -0.03     0.01   0.06   0.20
    15   1    -0.03  -0.01  -0.06    -0.03  -0.07   0.07     0.05   0.06   0.18
    16   1     0.05  -0.07   0.15    -0.15   0.02   0.01    -0.00  -0.03  -0.04
    17   1    -0.00   0.03   0.01     0.02   0.17   0.02    -0.14  -0.05   0.03
    18   1    -0.10  -0.02   0.01    -0.11  -0.00  -0.04    -0.06   0.08  -0.06
    19   1     0.06   0.04  -0.03     0.14   0.10   0.01    -0.06  -0.09  -0.07
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1402.7396              1406.8571              1413.4348
 Red. masses --      1.3086                 1.2435                 1.5704
 Frc consts  --      1.5171                 1.4501                 1.8485
 IR Inten    --      8.6364                 5.8646               418.8900
 RamAct Fr= 1--      1.8833                 0.3206                 4.9796
  Dep-P Fr= 1--      0.5892                 0.5202                 0.1318
  Dep-U Fr= 1--      0.7415                 0.6844                 0.2329
 Alpha2 Fr= 1--      0.0056                 0.0014                 0.0806
 Beta2  Fr= 1--      0.2327                 0.0366                 0.1933
 AlphaG Fr= 1--     -0.0074                 0.0007                -0.0272
 Gamma2 Fr= 1--      1.6470                -0.0239                -0.0809
 Delta2 Fr= 1--      0.4836                -0.0482                -0.0295
 Raman1 Fr= 1--       7.533                  1.282                 19.919
 ROA1   Fr= 1--     173.588                 -3.836                 -8.714
 CID1   Fr= 1--      23.044                 -2.991                 -0.438
 Raman2 Fr= 1--       2.793                  0.439                  2.320
 ROA2   Fr= 1--      35.659                 -0.188                 -1.706
 CID2   Fr= 1--      12.768                 -0.429                 -0.736
 Raman3 Fr= 1--       5.586                  0.878                  4.639
 ROA3   Fr= 1--     173.588                 -3.836                 -8.714
 CID3   Fr= 1--      31.077                 -4.371                 -1.878
 RC180  Fr= 1--       0.483                  0.369                 -0.534
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.03    -0.09  -0.04   0.04    -0.02  -0.01   0.01
     2   6     0.01  -0.02   0.07     0.01   0.01  -0.02     0.00   0.01  -0.01
     3   6    -0.02  -0.12   0.00    -0.01  -0.03   0.01    -0.05  -0.01   0.02
     4   6     0.02  -0.01   0.00    -0.01   0.00   0.01     0.14  -0.04  -0.06
     5   8    -0.01   0.00   0.00     0.01   0.00  -0.00    -0.11  -0.01   0.03
     6   6     0.01   0.02   0.01     0.00  -0.03   0.09    -0.00  -0.00  -0.01
     7   7     0.01   0.03  -0.05     0.00   0.00  -0.01     0.01   0.02  -0.00
     8   8     0.00   0.01   0.00     0.00  -0.01  -0.00    -0.02   0.05   0.02
     9   1    -0.01   0.75   0.20     0.06   0.13   0.04     0.06   0.00   0.02
    10   1    -0.18   0.23  -0.29    -0.05  -0.02   0.05     0.00  -0.02   0.04
    11   1    -0.02   0.01  -0.00    -0.10   0.04   0.04     0.81  -0.30  -0.38
    12   1     0.06  -0.22  -0.10     0.02  -0.05  -0.02    -0.01  -0.08  -0.00
    13   1    -0.04   0.21   0.17    -0.01   0.06   0.06     0.01  -0.00  -0.02
    14   1    -0.01  -0.02  -0.08    -0.18   0.04  -0.34     0.01   0.01   0.04
    15   1    -0.02  -0.02  -0.07     0.12   0.03  -0.33     0.00   0.01   0.04
    16   1    -0.01   0.02  -0.00     0.04   0.23  -0.29     0.00  -0.03   0.04
    17   1    -0.10  -0.03  -0.02     0.39   0.13   0.04     0.10   0.03   0.01
    18   1    -0.09  -0.04   0.11     0.34   0.05  -0.25     0.10   0.01  -0.07
    19   1    -0.07  -0.07   0.11     0.24   0.29  -0.19     0.08   0.10  -0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1428.2035              1487.3043              1498.4209
 Red. masses --      1.2454                 1.0441                 1.0504
 Frc consts  --      1.4967                 1.3607                 1.3895
 IR Inten    --     10.8866                 0.3416                 3.6108
 RamAct Fr= 1--      0.7037                 6.8384                 1.6000
  Dep-P Fr= 1--      0.1811                 0.7460                 0.7399
  Dep-U Fr= 1--      0.3066                 0.8546                 0.8505
 Alpha2 Fr= 1--      0.0100                 0.0005                 0.0003
 Beta2  Fr= 1--      0.0360                 0.9740                 0.2268
 AlphaG Fr= 1--     -0.0037                 0.0070                 0.0000
 Gamma2 Fr= 1--      0.0684                 0.0980                 0.1632
 Delta2 Fr= 1--      0.1481                 0.1760                -0.1694
 Raman1 Fr= 1--       2.815                 27.354                  6.400
 ROA1   Fr= 1--      11.301                 15.043                 10.243
 CID1   Fr= 1--       4.015                  0.550                  1.601
 Raman2 Fr= 1--       0.431                 11.688                  2.722
 ROA2   Fr= 1--       0.456                  0.944                  5.271
 CID2   Fr= 1--       1.056                  0.081                  1.937
 Raman3 Fr= 1--       0.863                 23.375                  5.443
 ROA3   Fr= 1--      11.301                 15.043                 10.243
 CID3   Fr= 1--      13.095                  0.644                  1.882
 RC180  Fr= 1--      -0.387                  0.709                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.03   0.02     0.02  -0.03  -0.00    -0.01  -0.01  -0.04
     2   6     0.01  -0.00   0.02    -0.01  -0.00   0.00     0.02   0.00  -0.03
     3   6     0.01  -0.03  -0.01     0.00  -0.00  -0.00    -0.01   0.00   0.00
     4   6    -0.02   0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   8     0.02   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.01   0.03  -0.10    -0.03   0.03   0.01     0.03   0.01   0.01
     7   7     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   8     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1    -0.07   0.14   0.03    -0.01   0.01   0.00     0.05  -0.04  -0.01
    10   1    -0.06   0.07  -0.06    -0.01  -0.02   0.03    -0.05  -0.04   0.06
    11   1    -0.13   0.05   0.06     0.01  -0.00  -0.01    -0.00  -0.00   0.00
    12   1    -0.01   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.02  -0.00
    13   1    -0.02   0.04   0.02    -0.00  -0.01  -0.02     0.00   0.01   0.03
    14   1     0.20  -0.05   0.39     0.13  -0.43  -0.21     0.09  -0.02   0.17
    15   1    -0.11  -0.00   0.38    -0.12  -0.05   0.27    -0.17  -0.25  -0.18
    16   1    -0.01  -0.28   0.33     0.41   0.04  -0.16    -0.33   0.14  -0.07
    17   1     0.33   0.10   0.02    -0.12   0.45   0.12    -0.37   0.15   0.03
    18   1     0.32  -0.01  -0.16     0.00   0.19  -0.34     0.40  -0.15   0.06
    19   1     0.20   0.27  -0.10    -0.11  -0.12   0.24     0.09   0.23   0.53
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1508.9627              1512.1789              1656.6973
 Red. masses --      1.0588                 1.0417                 1.0924
 Frc consts  --      1.4204                 1.4034                 1.7666
 IR Inten    --      7.9895                11.2712                30.6669
 RamAct Fr= 1--      1.9330                 5.7987                 3.9333
  Dep-P Fr= 1--      0.6868                 0.7241                 0.6208
  Dep-U Fr= 1--      0.8143                 0.8399                 0.7661
 Alpha2 Fr= 1--      0.0021                 0.0026                 0.0093
 Beta2  Fr= 1--      0.2623                 0.8118                 0.5022
 AlphaG Fr= 1--     -0.0018                -0.0020                 0.0008
 Gamma2 Fr= 1--     -0.6159                -0.2493                 0.1287
 Delta2 Fr= 1--     -0.3989                 0.0673                -0.0787
 Raman1 Fr= 1--       7.732                 23.195                 15.733
 ROA1   Fr= 1--     -71.894                -21.783                  9.835
 CID1   Fr= 1--      -9.298                 -0.939                  0.625
 Raman2 Fr= 1--       3.148                  9.741                  6.026
 ROA2   Fr= 1--     -11.592                 -6.523                  3.718
 CID2   Fr= 1--      -3.682                 -0.670                  0.617
 Raman3 Fr= 1--       6.296                 19.482                 12.053
 ROA3   Fr= 1--     -71.894                -21.783                  9.835
 CID3   Fr= 1--     -11.419                 -1.118                  0.816
 RC180  Fr= 1--       0.629                  0.680                  0.532
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03   0.02     0.00  -0.01  -0.02     0.00   0.00   0.00
     2   6     0.04  -0.03   0.02    -0.02  -0.02  -0.01     0.00   0.00  -0.00
     3   6    -0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.03   0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01  -0.00  -0.01
     5   8     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.02  -0.01  -0.01    -0.02  -0.03  -0.01    -0.00   0.00  -0.00
     7   7    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.03  -0.06  -0.03
     8   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.01   0.00  -0.01     0.01  -0.00  -0.00     0.02  -0.03  -0.01
    10   1    -0.07   0.04  -0.06    -0.01  -0.00  -0.05    -0.01  -0.00   0.01
    11   1     0.00  -0.00   0.00    -0.01   0.00   0.01     0.02  -0.01  -0.02
    12   1    -0.00   0.02   0.00    -0.02   0.01   0.02     0.30   0.63  -0.11
    13   1     0.01  -0.01   0.00    -0.01  -0.01  -0.02     0.29   0.22   0.59
    14   1    -0.08   0.33   0.22    -0.26   0.34  -0.16    -0.00  -0.01  -0.01
    15   1     0.07   0.00  -0.26     0.39   0.46   0.08     0.01   0.02   0.02
    16   1    -0.37  -0.03   0.14     0.26  -0.25   0.23     0.04  -0.02   0.01
    17   1     0.07   0.44   0.11    -0.23   0.12   0.03    -0.00  -0.01   0.00
    18   1    -0.17   0.28  -0.41     0.21  -0.06  -0.00    -0.01   0.00   0.00
    19   1    -0.20  -0.27   0.01     0.04   0.11   0.32    -0.00  -0.01  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1835.0240              3020.2286              3024.9985
 Red. masses --      9.7076                 1.0425                 1.0395
 Frc consts  --     19.2594                 5.6028                 5.6044
 IR Inten    --    289.7659                24.7714                26.6826
 RamAct Fr= 1--     14.1552                33.5880               267.1685
  Dep-P Fr= 1--      0.3320                 0.0718                 0.0043
  Dep-U Fr= 1--      0.4985                 0.1340                 0.0087
 Alpha2 Fr= 1--      0.1316                 0.6297                 5.8771
 Beta2  Fr= 1--      1.1760                 0.7503                 0.3856
 AlphaG Fr= 1--      0.2007                 0.1848                 0.0814
 Gamma2 Fr= 1--      2.1865                 0.1708                -0.3105
 Delta2 Fr= 1--      0.4252                -0.3009                 0.4868
 Raman1 Fr= 1--      56.621                134.352               1068.674
 ROA1   Fr= 1--     223.514                  6.767                -14.228
 CID1   Fr= 1--       3.948                  0.050                 -0.013
 Raman2 Fr= 1--      14.111                  9.004                  4.628
 ROA2   Fr= 1--      49.075                  6.506                -11.345
 CID2   Fr= 1--       3.478                  0.723                 -2.452
 Raman3 Fr= 1--      28.223                 18.007                  9.256
 ROA3   Fr= 1--     223.514                  6.767                -14.228
 CID3   Fr= 1--       7.920                  0.376                 -1.537
 RC180  Fr= 1--      -0.003                 -0.732                 -0.983
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.01   0.01  -0.01    -0.03  -0.03   0.01
     2   6    -0.00   0.01  -0.00     0.00   0.01   0.00     0.00   0.01   0.01
     3   6    -0.02  -0.04  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
     4   6     0.13   0.68   0.19     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   8    -0.04  -0.06  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.01  -0.02  -0.05    -0.00  -0.01  -0.02
     7   7    -0.00  -0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     8   8    -0.08  -0.42  -0.12     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   1     0.02   0.04   0.01    -0.00  -0.01   0.03    -0.00  -0.02   0.11
    10   1     0.06   0.01   0.01    -0.01  -0.07  -0.04    -0.02  -0.10  -0.07
    11   1     0.47  -0.11  -0.20     0.00   0.00  -0.00     0.00   0.00   0.00
    12   1    -0.00   0.01   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   1     0.02  -0.02  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    14   1     0.01   0.01   0.04    -0.30  -0.16   0.10    -0.12  -0.07   0.04
    15   1    -0.01  -0.01   0.01     0.24  -0.22   0.03     0.09  -0.09   0.01
    16   1    -0.03   0.01   0.00     0.14   0.61   0.44     0.06   0.27   0.19
    17   1    -0.01  -0.00   0.00     0.02  -0.05   0.23    -0.03   0.11  -0.50
    18   1    -0.02  -0.00   0.01    -0.05  -0.23  -0.14     0.12   0.53   0.33
    19   1     0.02   0.02  -0.01    -0.14   0.12  -0.03     0.29  -0.26   0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3040.3171              3059.6231              3079.7860
 Red. masses --      1.0826                 1.0838                 1.0954
 Frc consts  --      5.8959                 5.9777                 6.1215
 IR Inten    --      8.3639                 1.0313                14.2890
 RamAct Fr= 1--    114.4313                75.9184                29.0903
  Dep-P Fr= 1--      0.1497                 0.7025                 0.6381
  Dep-U Fr= 1--      0.2604                 0.8252                 0.7791
 Alpha2 Fr= 1--      1.7704                 0.0628                 0.0589
 Beta2  Fr= 1--      4.9662                10.4419                 3.7773
 AlphaG Fr= 1--     -0.1317                -0.1193                 0.0069
 Gamma2 Fr= 1--      3.3054               -12.0650                 9.1818
 Delta2 Fr= 1--      2.5689                -7.3832                 8.9734
 Raman1 Fr= 1--     457.725                303.673                116.361
 ROA1   Fr= 1--     399.523              -1394.501               1168.603
 CID1   Fr= 1--       0.873                 -4.592                 10.043
 Raman2 Fr= 1--      59.594                125.303                 45.327
 ROA2   Fr= 1--      58.778               -230.495                148.576
 CID2   Fr= 1--       0.986                 -1.840                  3.278
 Raman3 Fr= 1--     119.188                250.605                 90.654
 ROA3   Fr= 1--     399.523              -1394.501               1168.603
 CID3   Fr= 1--       3.352                 -5.565                 12.891
 RC180  Fr= 1--      -0.479                  0.650                  0.558
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.01   0.02   0.03     0.00  -0.04  -0.05
     2   6     0.00   0.01   0.00    -0.01  -0.06  -0.04    -0.00  -0.01  -0.00
     3   6     0.00   0.02  -0.08     0.00   0.00  -0.01     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.01     0.00   0.02  -0.00    -0.00   0.06   0.00
     7   7     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     8   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     9   1    -0.02  -0.21   0.96    -0.00  -0.02   0.10     0.00  -0.00   0.02
    10   1    -0.02  -0.08  -0.05     0.13   0.70   0.44     0.02   0.08   0.05
    11   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    12   1    -0.01   0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   1     0.01   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.04   0.02  -0.01    -0.17  -0.08   0.06    -0.30  -0.14   0.11
    15   1    -0.03   0.02  -0.00     0.18  -0.15   0.03     0.39  -0.32   0.07
    16   1    -0.01  -0.06  -0.04    -0.01  -0.05  -0.04    -0.07  -0.27  -0.20
    17   1     0.00  -0.01   0.05    -0.02   0.07  -0.28     0.03  -0.11   0.42
    18   1    -0.01  -0.06  -0.03    -0.05  -0.21  -0.13     0.10   0.43   0.25
    19   1    -0.05   0.04  -0.01     0.13  -0.11   0.03    -0.16   0.12  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3088.8254              3096.3625              3107.9720
 Red. masses --      1.0959                 1.0996                 1.1023
 Frc consts  --      6.1605                 6.2112                 6.2733
 IR Inten    --     38.5373                34.1554                20.3724
 RamAct Fr= 1--     74.7200               105.3307                69.2384
  Dep-P Fr= 1--      0.1711                 0.4754                 0.7451
  Dep-U Fr= 1--      0.2922                 0.6444                 0.8540
 Alpha2 Fr= 1--      1.0944                 0.5808                 0.0057
 Beta2  Fr= 1--      3.6387                11.3133                 9.8545
 AlphaG Fr= 1--     -0.0524                -0.3332                -0.0144
 Gamma2 Fr= 1--     -0.3165                 2.7186                -4.8747
 Delta2 Fr= 1--     -3.3140                 3.1493                -3.8905
 Raman1 Fr= 1--     298.880                421.323                276.954
 ROA1   Fr= 1--    -136.436                361.765               -592.467
 CID1   Fr= 1--      -0.456                  0.859                 -2.139
 Raman2 Fr= 1--      43.664                135.759                118.254
 ROA2   Fr= 1--      18.915                 40.052                -85.869
 CID2   Fr= 1--       0.433                  0.295                 -0.726
 Raman3 Fr= 1--      87.329                271.519                236.508
 ROA3   Fr= 1--    -136.436                361.765               -592.467
 CID3   Fr= 1--      -1.562                  1.332                 -2.505
 RC180  Fr= 1--      -0.416                  0.289                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.06    -0.05   0.07  -0.03    -0.00   0.01  -0.00
     2   6    -0.01  -0.03  -0.02     0.00   0.02   0.01    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.05  -0.00     0.01   0.02   0.00    -0.09  -0.00   0.01
     7   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.00  -0.01   0.06     0.00  -0.00   0.00     0.00   0.00  -0.00
    10   1     0.08   0.38   0.24    -0.03  -0.17  -0.10     0.00   0.01   0.00
    11   1     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.22   0.10  -0.08    -0.14  -0.07   0.05     0.65   0.34  -0.24
    15   1    -0.32   0.27  -0.06     0.08  -0.06   0.02     0.45  -0.41   0.08
    16   1     0.07   0.27   0.21    -0.02  -0.10  -0.08    -0.00   0.08   0.06
    17   1     0.02  -0.12   0.50     0.01  -0.07   0.36     0.00  -0.01   0.03
    18   1     0.07   0.31   0.17    -0.06  -0.19  -0.13    -0.00  -0.01  -0.01
    19   1     0.11  -0.10   0.01     0.64  -0.53   0.11     0.06  -0.05   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3432.5393              3510.7421              3594.0943
 Red. masses --      1.0642                 1.0504                 1.0928
 Frc consts  --      7.3873                 7.6282                 8.3172
 IR Inten    --    250.5299                 0.5864                12.4136
 RamAct Fr= 1--     75.0507                93.7773                55.7795
  Dep-P Fr= 1--      0.0891                 0.0650                 0.5222
  Dep-U Fr= 1--      0.1636                 0.1220                 0.6861
 Alpha2 Fr= 1--      1.3496                 1.7872                 0.2473
 Beta2  Fr= 1--      2.0458                 1.9074                 6.3786
 AlphaG Fr= 1--      0.3959                -0.0116                 0.2863
 Gamma2 Fr= 1--     -0.0846                 4.1992                 0.2983
 Delta2 Fr= 1--      0.5933                 0.9019                -2.1146
 Raman1 Fr= 1--     300.203                375.109                223.118
 ROA1   Fr= 1--      10.866                431.987                -39.029
 CID1   Fr= 1--       0.036                  1.152                 -0.175
 Raman2 Fr= 1--      24.549                 22.889                 76.543
 ROA2   Fr= 1--      -6.777                 93.567                 24.076
 CID2   Fr= 1--      -0.276                  4.088                  0.315
 Raman3 Fr= 1--      49.098                 45.778                153.086
 ROA3   Fr= 1--      10.866                431.987                -39.029
 CID3   Fr= 1--       0.221                  9.437                 -0.255
 RC180  Fr= 1--      -0.673                 -0.756                  0.372
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   8    -0.02  -0.05  -0.01     0.00   0.01   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   7    -0.00  -0.00  -0.00    -0.04  -0.02  -0.03    -0.01  -0.05   0.06
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1    -0.00  -0.00  -0.00    -0.00   0.00   0.01     0.00   0.00  -0.02
    10   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    11   1     0.35   0.91   0.20    -0.04  -0.08  -0.02    -0.01  -0.01  -0.00
    12   1     0.03  -0.01   0.06     0.35  -0.07   0.76    -0.25   0.03  -0.47
    13   1     0.03   0.04  -0.04     0.22   0.40  -0.30     0.38   0.61  -0.44
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   592.539251224.836551436.89018
           X            0.99977  -0.02100  -0.00368
           Y            0.02078   0.99844  -0.05181
           Z            0.00476   0.05173   0.99865
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14617     0.07071     0.06028
 Rotational constants (GHZ):           3.04577     1.47345     1.25600
 Zero-point vibrational energy     432526.0 (Joules/Mol)
                                  103.37620 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     81.56   119.73   265.33   322.19   354.79
          (Kelvin)            389.51   420.28   448.23   522.97   595.48
                              748.56   784.24   874.90  1056.07  1166.44
                             1209.00  1261.34  1296.40  1349.27  1397.44
                             1437.17  1491.90  1562.22  1673.39  1726.68
                             1733.18  1753.02  1846.04  1948.53  1971.73
                             2018.23  2024.15  2033.62  2054.87  2139.90
                             2155.89  2171.06  2175.69  2383.62  2640.19
                             4345.44  4352.30  4374.34  4402.12  4431.13
                             4444.13  4454.98  4471.68  4938.66  5051.17
                             5171.10
 
 Zero-point correction=                           0.164740 (Hartree/Particle)
 Thermal correction to Energy=                    0.173945
 Thermal correction to Enthalpy=                  0.174889
 Thermal correction to Gibbs Free Energy=         0.130814
 Sum of electronic and zero-point Energies=           -402.407876
 Sum of electronic and thermal Energies=              -402.398672
 Sum of electronic and thermal Enthalpies=            -402.397727
 Sum of electronic and thermal Free Energies=         -402.441803
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.152             33.640             92.764
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.435
 Vibrational            107.374             27.678             24.141
 Vibration     1          0.596              1.975              4.569
 Vibration     2          0.600              1.961              3.814
 Vibration     3          0.631              1.861              2.283
 Vibration     4          0.649              1.805              1.927
 Vibration     5          0.661              1.768              1.755
 Vibration     6          0.674              1.727              1.592
 Vibration     7          0.687              1.688              1.462
 Vibration     8          0.700              1.652              1.354
 Vibration     9          0.737              1.547              1.107
 Vibration    10          0.777              1.440              0.913
 Vibration    11          0.875              1.205              0.609
 Vibration    12          0.900              1.150              0.554
 Vibration    13          0.967              1.015              0.436
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.676033D-60        -60.170032       -138.546620
 Total V=0       0.402948D+16         15.605249         35.932415
 Vib (Bot)       0.371399D-73        -73.430160       -169.079191
 Vib (Bot)    1  0.364411D+01          0.561592          1.293113
 Vib (Bot)    2  0.247351D+01          0.393314          0.905638
 Vib (Bot)    3  0.108744D+01          0.036404          0.083822
 Vib (Bot)    4  0.881852D+00         -0.054604         -0.125731
 Vib (Bot)    5  0.792745D+00         -0.100867         -0.232254
 Vib (Bot)    6  0.713606D+00         -0.146542         -0.337424
 Vib (Bot)    7  0.653910D+00         -0.184482         -0.424786
 Vib (Bot)    8  0.606423D+00         -0.217224         -0.500178
 Vib (Bot)    9  0.503089D+00         -0.298355         -0.686988
 Vib (Bot)   10  0.426228D+00         -0.370358         -0.852782
 Vib (Bot)   11  0.310171D+00         -0.508399         -1.170631
 Vib (Bot)   12  0.289267D+00         -0.538701         -1.240405
 Vib (Bot)   13  0.243510D+00         -0.613482         -1.412595
 Vib (V=0)       0.221372D+03          2.345122          5.399843
 Vib (V=0)    1  0.417826D+01          0.620995          1.429894
 Vib (V=0)    2  0.302354D+01          0.480516          1.106428
 Vib (V=0)    3  0.169688D+01          0.229651          0.528790
 Vib (V=0)    4  0.151374D+01          0.180050          0.414581
 Vib (V=0)    5  0.143725D+01          0.157533          0.362734
 Vib (V=0)    6  0.137134D+01          0.137145          0.315788
 Vib (V=0)    7  0.132316D+01          0.121614          0.280025
 Vib (V=0)    8  0.128597D+01          0.109231          0.251513
 Vib (V=0)    9  0.120929D+01          0.082532          0.190037
 Vib (V=0)   10  0.115702D+01          0.063339          0.145844
 Vib (V=0)   11  0.108839D+01          0.036786          0.084702
 Vib (V=0)   12  0.107765D+01          0.032476          0.074779
 Vib (V=0)   13  0.105615D+01          0.023724          0.054626
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.365557D+06          5.562955         12.809177
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3  3       33333333                                         1     1 1111111111 11111  1 1                                    
     5  5  4       10000000                                         8     6 5544444433 22221  0 0999 9888  7   6 55   4 3322221      
     9  1  3       09886422                                         3     5 1098210075 81006  8 3973 0741  3   0 42   1 6197428  85  
     4  1  3       86900050                                         5     7 2987837304 38503  6 7918 1701  4   8 50   4 3221744  37  
 
     X  X  X       XXXXXXXX                                         X     X XXXXXXXXXX XXXXX  X XXXX XXXX  X   X XX   X XXXXXXX  XX  
           X        XX                                              X            X               X   XXXX                            
           X                                                        X            X               X   XX                              
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
                                                                    X            X                                                   
                                                                    X            X                                                   
                                                                                 X                                                   
                                                                                 X                                                   
                                                                                 X                                                   
                                                                                 X                                                   
                                                                                 X                                                   
                                                                                 X                                                   
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000015325   -0.000004427    0.000005460
      2        6           0.000011094   -0.000005694    0.000009687
      3        6          -0.000019417   -0.000006989    0.000032086
      4        6           0.000056109    0.000002611   -0.000022541
      5        8          -0.000023973    0.000023698    0.000014541
      6        6           0.000010779    0.000014654   -0.000015470
      7        7          -0.000001345    0.000007251   -0.000005182
      8        8          -0.000013696    0.000007950    0.000012184
      9        1           0.000003608    0.000014301    0.000000578
     10        1           0.000003217   -0.000004792   -0.000010989
     11        1          -0.000002930   -0.000027696   -0.000005252
     12        1           0.000002088   -0.000010682   -0.000013350
     13        1           0.000000380   -0.000004749   -0.000001735
     14        1          -0.000000278    0.000000118    0.000001144
     15        1          -0.000007111   -0.000003138   -0.000002317
     16        1           0.000000880   -0.000000492   -0.000003591
     17        1          -0.000001770   -0.000004311    0.000003105
     18        1          -0.000000908    0.000001860   -0.000001180
     19        1          -0.000001402    0.000000528    0.000002821
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000056109 RMS     0.000013029
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.885776D+02  0.141636D+00 -0.215284D+01
      2   0.141636D+00  0.820296D+02  0.142203D+01
      3  -0.215284D+01  0.142203D+01  0.718342D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.658808D+00 -0.352965D+00  0.115699D+01
      2   0.316985D+01 -0.838829D+01  0.346475D+02
      3   0.737109D+01 -0.168384D+02  0.920524D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.742919D+02 -0.936802D+01 -0.313171D+01
      2  -0.424366D+02  0.109742D+02 -0.110739D+00
      3  -0.318553D+02 -0.160618D+01  0.324245D+01
      4  -0.284123D+01  0.385592D+02 -0.221511D+02
      5   0.550177D+01 -0.241334D+02  0.767879D+02
      6  -0.965316D+01  0.820968D+01  0.420763D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.128801D+01  0.413728D+01 -0.239864D+01  0.481316D+01 -0.322175D+01
      2   0.413728D+01 -0.246797D+01 -0.107835D+01 -0.322175D+01 -0.224587D+01
      3  -0.239864D+01 -0.107835D+01  0.827548D+00 -0.963249D+00 -0.215130D+01
                 6             7             8             9            10 
      1  -0.963249D+00 -0.272005D+01 -0.598414D+00 -0.469076D+00  0.239279D+01
      2  -0.215130D+01 -0.598414D+00 -0.216802D+01 -0.329001D+01 -0.373185D+01
      3  -0.286926D+01 -0.469076D+00 -0.329001D+01  0.673219D+01  0.294305D+01
                11            12            13            14            15 
      1  -0.373185D+01  0.294305D+01 -0.497256D+01  0.169526D+01  0.115471D+01
      2   0.205687D+01  0.131970D+01  0.169526D+01  0.269956D+01  0.254143D+01
      3   0.131970D+01 -0.344313D+00  0.115471D+01  0.254143D+01  0.345800D+01
                16            17            18            19            20 
      1   0.327020D+01  0.912244D+00 -0.121778D+00 -0.822039D+00  0.366203D+01
      2   0.912244D+00  0.218795D+01  0.412366D+01  0.366203D+01 -0.999635D+00
      3  -0.121778D+00  0.412366D+01 -0.441174D+01 -0.504931D+00 -0.262691D+00
                21            22            23            24            25 
      1  -0.504931D+00  0.432432D+01  0.339484D+00  0.222737D+00 -0.844046D+00
      2  -0.262691D+00  0.339484D+00 -0.225700D+01 -0.121173D+01  0.839095D+00
      3  -0.450000D-01  0.222737D+00 -0.121173D+01 -0.123020D+01  0.367142D+00
                26            27            28            29            30 
      1   0.839095D+00  0.367142D+00 -0.231407D+01 -0.278762D+01 -0.441567D+00
      2  -0.122230D+01 -0.239844D+01 -0.278762D+01 -0.547949D-01  0.783857D+00
      3  -0.239844D+01  0.591933D+01 -0.441567D+00  0.783857D+00 -0.401610D+00
                31            32            33            34            35 
      1  -0.605965D+00  0.225797D+01  0.130181D+01 -0.453051D-01  0.154246D+01
      2   0.225797D+01  0.587366D+01  0.177705D+01  0.154246D+01  0.248254D+01
      3   0.130181D+01  0.177705D+01  0.883035D+00  0.438249D+00  0.809470D+00
                36            37            38            39            40 
      1   0.438249D+00 -0.806249D+01  0.152963D+01  0.157449D+01 -0.232630D+01
      2   0.809470D+00  0.152963D+01 -0.184056D+01 -0.596018D+00 -0.410131D+01
      3   0.246600D-02  0.157449D+01 -0.596018D+00 -0.103984D+01 -0.295508D+00
                41            42            43            44            45 
      1  -0.410131D+01 -0.295508D+00  0.135168D+01 -0.967383D+00 -0.213163D+01
      2  -0.207999D+01 -0.381707D+00 -0.967383D+00 -0.885253D+00  0.578629D+00
      3  -0.381707D+00 -0.159685D+00 -0.213163D+01  0.578629D+00  0.188708D+01
                46            47            48            49            50 
      1   0.271065D+00  0.517225D+01 -0.340583D+01  0.498558D+01 -0.223252D+01
      2   0.517225D+01 -0.239041D+01 -0.782082D+00 -0.223252D+01 -0.193458D+00
      3  -0.340583D+01 -0.782082D+00  0.526871D+00 -0.857706D+00 -0.324047D+01
                51            52            53            54            55 
      1  -0.857706D+00 -0.225213D+01 -0.865619D+00  0.297827D+00 -0.809613D+00
      2  -0.324047D+01 -0.865619D+00 -0.234399D+01 -0.334623D+01 -0.166333D+01
      3  -0.260291D+01  0.297827D+00 -0.334623D+01  0.260869D+01 -0.289178D+00
                56            57            58            59            60 
      1  -0.166333D+01 -0.289178D+00 -0.137080D+01 -0.348363D+01  0.194393D+00
      2  -0.306500D+01  0.377832D+00 -0.348363D+01  0.176642D+01  0.205516D+01
      3   0.377832D+00 -0.207553D+01  0.194393D+00  0.205516D+01  0.131307D+00
                61            62            63            64            65 
      1   0.116351D-01  0.458925D+00 -0.250619D+01 -0.140190D+01 -0.272974D+01
      2   0.458925D+00  0.242917D+01  0.445359D+00 -0.272974D+01 -0.181403D+01
      3  -0.250619D+01  0.445359D+00 -0.235332D+01 -0.101348D+01 -0.959154D+00
                66            67            68            69            70 
      1  -0.101348D+01 -0.417554D+01 -0.264626D+01 -0.791237D+00 -0.156465D+01
      2  -0.959154D+00 -0.264626D+01 -0.119009D+02 -0.233469D+01 -0.837448D+00
      3  -0.430563D+00 -0.791237D+00 -0.233469D+01 -0.270849D+01 -0.125957D+01
                71            72            73            74            75 
      1  -0.837448D+00 -0.125957D+01  0.292310D+00 -0.234727D+00 -0.106892D+01
      2  -0.198111D+01 -0.333222D+01 -0.234727D+00  0.138083D+00  0.186079D-01
      3  -0.333222D+01 -0.259989D+01 -0.106892D+01  0.186079D-01  0.116592D-01
                76            77            78            79            80 
      1  -0.597820D+00 -0.848969D-01  0.181854D+00 -0.182970D+01 -0.400357D-01
      2  -0.848969D-01  0.149457D+01 -0.126851D+01 -0.400357D-01 -0.170327D+01
      3   0.181854D+00 -0.126851D+01  0.130469D+01 -0.263709D+00  0.190069D+01
                81            82            83            84            85 
      1  -0.263709D+00 -0.136743D+01 -0.372867D+00 -0.111635D+01 -0.102420D+01
      2   0.190069D+01 -0.372867D+00 -0.271621D+00 -0.924059D-01 -0.423733D+00
      3  -0.824685D+01 -0.111635D+01 -0.924059D-01 -0.223290D+00 -0.240428D+00
                86            87            88            89            90 
      1  -0.423733D+00 -0.240428D+00 -0.172299D+01 -0.253846D+00  0.329712D-02
      2  -0.583859D+01 -0.240260D+01 -0.253846D+00 -0.247473D+01 -0.237113D+01
      3  -0.240260D+01 -0.275272D+01  0.329712D-02 -0.237113D+01 -0.214847D+01
                91            92            93            94            95 
      1   0.102796D+01  0.221603D+01  0.118721D+00  0.511755D+01  0.540060D+00
      2   0.221603D+01  0.408458D+00  0.189396D+00  0.540060D+00  0.463503D+01
      3   0.118721D+00  0.189396D+00 -0.311117D+00 -0.423829D+00  0.106462D+01
                96            97            98            99           100 
      1  -0.423829D+00  0.835719D+00 -0.413235D-01 -0.806547D+00  0.443809D+00
      2   0.106462D+01 -0.413235D-01  0.984227D+00  0.745649D+00  0.487286D+00
      3   0.117601D+01 -0.806547D+00  0.745649D+00  0.979845D+00  0.109863D+01
               101           102           103           104           105 
      1   0.487286D+00  0.109863D+01  0.324966D+00  0.591776D+00  0.718210D-01
      2   0.105061D+01  0.341573D+00  0.591776D+00  0.394274D+00  0.803291D+00
      3   0.341573D+00  0.171542D+01  0.718210D-01  0.803291D+00  0.149268D+00
               106           107           108           109           110 
      1   0.244167D+01 -0.185458D-02  0.197189D+01  0.116764D+01  0.183374D+01
      2  -0.185458D-02  0.236108D+01  0.863850D+00  0.183374D+01  0.317685D+01
      3   0.197189D+01  0.863850D+00  0.507652D+01 -0.285684D+00 -0.536887D+00
               111           112           113           114           115 
      1  -0.285684D+00  0.278635D+01  0.285722D+01 -0.583754D+00 -0.129596D+01
      2  -0.536887D+00  0.285722D+01  0.676059D+01 -0.121159D+01 -0.113196D+01
      3   0.636352D+00 -0.583754D+00 -0.121159D+01  0.132358D+01  0.682724D+00
               116           117           118           119           120 
      1  -0.113196D+01  0.682724D+00 -0.476003D+01 -0.209524D+01  0.188080D+01
      2  -0.307013D+01  0.151006D+01 -0.209524D+01 -0.177096D+01  0.141327D+01
      3   0.151006D+01 -0.118137D+01  0.188080D+01  0.141327D+01 -0.276372D+01
               121           122           123           124           125 
      1  -0.225450D+01 -0.113023D+01  0.826713D+00  0.134824D+01  0.834669D+00
      2  -0.113023D+01 -0.214596D+01  0.160089D+01  0.834669D+00  0.113873D+01
      3   0.826713D+00  0.160089D+01 -0.122970D+01 -0.140119D+01 -0.740752D+00
               126           127           128           129           130 
      1  -0.140119D+01  0.473519D+01 -0.340865D+01  0.187138D+01 -0.326044D+01
      2  -0.740752D+00 -0.340865D+01  0.329071D+01 -0.119715D+01  0.293061D+01
      3   0.172235D+01  0.187138D+01 -0.119715D+01  0.176976D+01 -0.990056D+00
               131           132           133           134           135 
      1   0.293061D+01 -0.990056D+00  0.770025D+00 -0.541270D+00  0.102837D+01
      2  -0.415531D+01  0.184349D+01 -0.541270D+00  0.975482D+00 -0.742614D+00
      3   0.184349D+01 -0.126060D+01  0.102837D+01 -0.742614D+00  0.780680D+00
               136           137           138           139           140 
      1   0.804941D+00  0.185250D+00  0.120799D+01  0.912070D+00  0.509184D+00
      2   0.185250D+00  0.837516D+00  0.456390D+00  0.509184D+00  0.334698D+01
      3   0.120799D+01  0.456390D+00  0.997337D+00  0.845728D+00  0.196205D+01
               141           142           143           144           145 
      1   0.845728D+00  0.107099D+01  0.286957D+00  0.716452D+00  0.235658D+00
      2   0.196205D+01  0.286957D+00  0.200765D+01  0.186078D+01 -0.910717D-01
      3   0.357028D+01  0.716452D+00  0.186078D+01  0.397731D+01 -0.785806D+00
               146           147           148           149           150 
      1  -0.910717D-01 -0.785806D+00 -0.346264D-01  0.688878D+00 -0.265034D+00
      2   0.100932D+00  0.144983D+00  0.688878D+00  0.105645D+01 -0.120704D+01
      3   0.144983D+00 -0.135465D+00 -0.265034D+00 -0.120704D+01  0.174422D+01
               151           152           153           154           155 
      1  -0.205216D+01 -0.334168D+00  0.178639D+01  0.142165D+01  0.920118D+00
      2  -0.334168D+00 -0.146777D+01  0.205944D+01  0.920118D+00  0.138255D+01
      3   0.178639D+01  0.205944D+01 -0.926594D+01  0.685784D+00  0.432754D+00
               156           157           158           159           160 
      1   0.685784D+00  0.239365D+01  0.210774D+01  0.270707D+00  0.199643D+01
      2   0.432754D+00  0.210774D+01  0.515613D+01  0.148690D+01  0.846508D+00
      3   0.343848D+00  0.270707D+00  0.148690D+01  0.181283D+01  0.638575D+00
               161           162           163           164           165 
      1   0.846508D+00  0.638575D+00  0.803256D+01 -0.302851D+01 -0.704652D-01
      2   0.224781D+01  0.157332D+01 -0.302851D+01  0.223240D+01  0.263837D-01
      3   0.157332D+01  0.967360D+00 -0.704652D-01  0.263837D-01  0.941649D+00
               166           167           168           169           170 
      1  -0.503491D+01  0.280615D+01  0.340323D+00  0.123038D+01 -0.107536D+00
      2   0.280615D+01 -0.236661D+01  0.274738D+00 -0.107536D+00  0.501950D+00
      3   0.340323D+00  0.274738D+00 -0.739657D+00  0.102877D+01 -0.249497D+00
               171 
      1   0.102877D+01
      2  -0.249497D+00
      3  -0.446226D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.292995D+01  0.242038D+01  0.113324D+01  0.307381D+01  0.230371D+01
      2  -0.818054D+01  0.824505D+00  0.126030D+01  0.175357D+01 -0.901307D+01
      3  -0.119387D+02  0.638073D+01  0.315649D+01  0.137322D+02  0.777204D+01
                 6             7             8             9            10 
      1   0.643965D+00  0.206670D+01  0.435366D+01  0.728933D-02  0.356470D+01
      2  -0.933054D+01 -0.691092D+01 -0.101468D+02  0.191271D+02  0.827372D+01
      3   0.572965D+01  0.929475D+00  0.684981D+01  0.893292D+01  0.440454D+01
                11            12            13            14            15 
      1  -0.527460D+00 -0.211436D+00 -0.403320D+00  0.349795D+01 -0.238234D+01
      2  -0.922068D+00  0.380880D+01 -0.205525D+01  0.452708D+01  0.411032D+01
      3  -0.256884D+01 -0.200290D+01  0.389367D+01 -0.686942D+01 -0.555309D+01
                16            17            18            19            20 
      1   0.106000D+00  0.417637D+01 -0.286585D+01 -0.363188D+01  0.109613D+01
      2  -0.353067D+01  0.479581D+01 -0.429730D+01 -0.160769D+01  0.106528D+01
      3  -0.242811D+01 -0.449275D+01 -0.480870D+01  0.172405D+01 -0.372376D+01
                21            22            23            24            25 
      1  -0.967347D+00  0.398014D+00  0.147161D+01  0.156710D+01 -0.158836D+01
      2   0.556420D+00  0.551778D+01 -0.232009D+01  0.258963D+01 -0.356423D+01
      3   0.949618D+00  0.479942D+00 -0.308981D+01  0.161132D+01 -0.160094D+01
                26            27            28            29            30 
      1   0.583502D+01  0.564474D+00  0.131958D+01  0.128191D+01  0.201226D+00
      2   0.931719D+00 -0.215954D+01 -0.536854D+01  0.452049D+00 -0.462656D+01
      3   0.132331D+01  0.900071D+00 -0.855610D+01  0.332917D+00 -0.105626D+01
                31            32            33            34            35 
      1   0.269045D+01 -0.565668D+01  0.710532D+01  0.122293D+01  0.675781D+01
      2   0.632562D+01  0.417748D+00 -0.255995D+01 -0.187035D+02 -0.250923D+01
      3   0.566024D+00  0.130832D+02  0.236993D+00 -0.275674D+01  0.135579D-01
                36            37            38            39            40 
      1   0.534341D+01 -0.157866D+01 -0.273233D+01  0.238924D+01 -0.190984D+01
      2   0.380886D+01  0.496074D+00  0.259331D+01  0.899605D+01  0.200214D+01
      3   0.851892D+00 -0.334035D+01 -0.153516D+02 -0.144976D+01 -0.126890D+02
                41            42            43            44            45 
      1  -0.220744D+01 -0.393835D+01  0.216552D-01  0.225085D+01 -0.149855D+01
      2   0.244550D+01  0.116356D+01  0.688083D+01  0.425143D+00 -0.551352D+01
      3  -0.134090D+02 -0.201228D+01 -0.664576D+00 -0.604282D+00  0.844315D+00
                46            47            48            49            50 
      1   0.506653D+01 -0.514389D+01 -0.558066D+00 -0.438157D+01 -0.380491D+01
      2  -0.599762D+01 -0.104942D+02  0.104073D+02 -0.853443D+01 -0.138990D+01
      3  -0.845368D+01 -0.449012D+01  0.551632D+01 -0.872417D+00  0.370996D+01
                51            52            53            54            55 
      1  -0.129418D+02 -0.130860D+01 -0.763005D+01 -0.212056D+01  0.984365D+00
      2  -0.308384D+01  0.277862D+01 -0.340912D+01  0.201389D+01  0.526754D+00
      3   0.559472D+01  0.421545D+01  0.502690D+01  0.425054D+01 -0.311525D+01
                56            57            58            59            60 
      1  -0.391731D+01  0.655638D+01 -0.400983D+01 -0.815845D+01 -0.492019D+01
      2   0.215119D+01  0.637953D+01 -0.461385D+00  0.424045D+00 -0.163073D+01
      3  -0.121295D+02 -0.222421D+01  0.117153D+01 -0.434695D+01  0.196022D+01
                61            62            63            64            65 
      1   0.735453D+01  0.458752D+01  0.548354D+01  0.247886D+00  0.876839D+00
      2  -0.159118D+01 -0.119405D+01  0.220522D+01  0.137252D+01  0.569010D+00
      3   0.695780D+00  0.429763D+01 -0.622026D+01 -0.107935D+01 -0.530518D+01
                66            67            68            69            70 
      1  -0.244810D+01  0.253867D+00  0.518533D+01 -0.103277D+02 -0.509200D+00
      2   0.506674D+01 -0.666596D+01  0.118772D+01  0.529593D+01  0.138541D+01
      3  -0.906599D+00  0.951533D+01 -0.200063D+02 -0.223253D+01  0.145573D+01
                71            72            73            74            75 
      1   0.202429D+01 -0.218839D+01  0.572369D+00 -0.501585D+00  0.712561D-01
      2   0.562182D+01  0.292206D+01  0.118726D+01 -0.201306D+00  0.180527D+00
      3  -0.220425D+01 -0.555924D+01  0.640295D+00 -0.368434D+00 -0.518194D+00
                76            77            78            79            80 
      1  -0.258231D+00 -0.194320D+01 -0.805005D+00  0.293748D+00  0.278423D+01
      2  -0.377727D+00  0.484692D+00 -0.359383D+00 -0.372444D+01  0.456619D-01
      3   0.155849D+01  0.363839D+00 -0.315641D+00 -0.876534D+00 -0.498820D+00
                81            82            83            84            85 
      1   0.209830D+01 -0.101625D+01  0.136471D+00 -0.245821D+00 -0.222738D+00
      2   0.891167D+00 -0.300508D+01 -0.277843D+00 -0.195064D+00 -0.183684D+01
      3  -0.641486D-01  0.299682D+01  0.610293D+00  0.121476D+01  0.497119D+01
                86            87            88            89            90 
      1   0.103296D+01 -0.336938D+01  0.469330D-01  0.747585D+00 -0.969043D+00
      2  -0.282635D+01 -0.324438D+01 -0.300579D+01 -0.268488D+01 -0.236772D+01
      3   0.791678D+01  0.361033D+01  0.271058D+01  0.351871D+01  0.319103D+01
                91            92            93            94            95 
      1   0.136831D+01  0.178326D+01  0.149647D+01  0.198112D+01  0.259312D+01
      2  -0.236599D+01 -0.231207D+01 -0.169532D+01 -0.258566D+01 -0.465503D+01
      3   0.619601D+01  0.916848D+01  0.951928D+00  0.134631D+02  0.185717D+02
                96            97            98            99           100 
      1  -0.416372D+00  0.142851D+01  0.170730D+01 -0.274022D+00 -0.312757D+01
      2  -0.377855D+01 -0.215381D+01 -0.269990D+01 -0.143540D+01 -0.195026D+01
      3   0.340904D+01  0.164678D+01  0.261467D+01  0.485373D+00  0.211165D+01
               101           102           103           104           105 
      1   0.123667D+01 -0.551580D+01  0.110599D+01 -0.236831D+01  0.406705D+00
      2  -0.252895D-01 -0.106364D+01  0.272215D+00 -0.113344D+01  0.748415D+00
      3   0.263446D-02  0.271997D+01  0.585774D+00  0.123272D+01  0.400505D-01
               106           107           108           109           110 
      1  -0.638738D+01  0.152808D+01 -0.119477D+02  0.119189D+01  0.280407D+01
      2  -0.450750D+01  0.631515D+00 -0.238156D+01  0.450229D+00 -0.306027D+00
      3   0.632186D+01 -0.599060D+00  0.540660D+01  0.440318D+01  0.371144D+01
               111           112           113           114           115 
      1  -0.271832D+01  0.340279D+01  0.521302D+01 -0.449823D+01 -0.268709D+01
      2   0.215311D+00 -0.293427D+00 -0.376884D+00  0.675813D+00 -0.997032D+00
      3  -0.973588D+00  0.933784D+01  0.714505D+01 -0.213264D+01 -0.459326D+01
               116           117           118           119           120 
      1  -0.364508D+01  0.303307D+01 -0.175878D+01 -0.229586D+01 -0.182615D+01
      2   0.203175D+00 -0.234572D+00  0.123035D+02  0.485378D+01 -0.375538D+01
      3  -0.353737D+01  0.211875D+01  0.100002D+02  0.296423D+01 -0.329907D+01
               121           122           123           124           125 
      1  -0.131013D+01 -0.146700D+01  0.159332D-01 -0.405136D+00  0.229178D+01
      2   0.525784D+01  0.343268D+01 -0.186389D+01 -0.530081D+01 -0.219279D+01
      3   0.573190D+01  0.302965D+01 -0.264850D+01 -0.257127D+01 -0.152994D+01
               126           127           128           129           130 
      1   0.775096D+00 -0.316784D+01  0.455141D+01  0.161856D+01  0.333516D+01
      2   0.339427D+01 -0.486431D+01  0.320917D+01  0.232504D+01  0.439527D+01
      3   0.263097D+01 -0.126439D+01 -0.293379D+01  0.313694D-01  0.164252D+01
               131           132           133           134           135 
      1  -0.406390D+01 -0.626296D+00  0.750095D-01  0.198813D+01 -0.953507D-01
      2  -0.172459D+01 -0.130262D+01 -0.145346D+01  0.252111D+00 -0.980389D-01
      3   0.338126D+01 -0.157765D+01 -0.686149D+00 -0.111571D+01 -0.225912D+00
               136           137           138           139           140 
      1   0.159767D+01  0.203794D+01  0.143822D+01  0.989726D+00  0.113580D+02
      2   0.411592D+00  0.273371D+00  0.572190D+00 -0.164327D+01  0.268567D+01
      3  -0.400586D+00 -0.212780D+01 -0.166431D+01  0.669145D+00 -0.712149D+01
               141           142           143           144           145 
      1   0.510993D+01  0.138943D+01  0.823783D+01  0.658135D+01  0.188135D+00
      2   0.427075D+01 -0.237276D+01  0.199975D+01  0.434725D+01 -0.241527D+01
      3  -0.333443D+01 -0.778306D+00 -0.358670D+01 -0.339877D+01  0.285658D+00
               146           147           148           149           150 
      1   0.385350D-01 -0.126914D+00 -0.350299D+00 -0.140788D+01 -0.509675D+00
      2  -0.448247D-01  0.229596D+00  0.478706D-01 -0.214296D+01  0.481966D+01
      3  -0.984128D+00 -0.310585D+00 -0.491521D+00 -0.290756D+01  0.273664D+01
               151           152           153           154           155 
      1  -0.837775D-01  0.377116D+01  0.881881D+00 -0.107380D+01 -0.137792D+01
      2  -0.100250D+01  0.523890D+01 -0.229772D+02  0.327469D+01  0.196293D+01
      3  -0.302016D+00  0.417530D+01 -0.542241D+01 -0.302138D+01 -0.448204D+01
               156           157           158           159           160 
      1  -0.108069D+01 -0.147213D+01 -0.410667D+01 -0.426741D+01 -0.936506D+00
      2   0.221449D+01  0.175492D+01  0.674623D+01  0.659227D+01  0.965781D+00
      3  -0.918100D+00 -0.235613D+01 -0.162931D+02 -0.511435D+01 -0.722628D+00
               161           162           163           164           165 
      1  -0.964158D+00 -0.233070D+01  0.218328D+01 -0.176726D+01  0.794059D+00
      2   0.522325D+01  0.394043D+01  0.638201D+01 -0.265990D+01  0.503828D+01
      3  -0.767290D+01 -0.455429D+01  0.833567D+01 -0.971729D+01  0.696168D-01
               166           167           168           169           170 
      1  -0.183584D+01  0.181762D+01 -0.176069D+01 -0.276907D-01  0.209428D+00
      2  -0.287327D+01  0.323093D+01 -0.311247D+01  0.252222D+01 -0.604128D+00
      3  -0.662387D+01  0.790955D+01 -0.108660D+01  0.487408D-02 -0.197812D+01
               171 
      1   0.235276D+00
      2  -0.106637D+00
      3   0.641274D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.108308D+02  0.254649D+02 -0.122858D+02  0.304353D+02 -0.169627D+02
      2   0.231041D+01 -0.142119D+02  0.566152D+01 -0.167578D+02  0.263935D+01
      3   0.852042D+01 -0.112530D+02  0.662426D+01 -0.136775D+02  0.143234D+02
      4   0.278237D+02 -0.143356D+02 -0.538499D+01 -0.219994D+02 -0.118749D+02
      5  -0.109223D+02 -0.844450D+01  0.485802D+01 -0.103158D+02 -0.100699D+02
      6  -0.499102D+01  0.209323D+01 -0.304413D-01  0.163230D+01 -0.893865D+00
                 6             7             8             9            10 
      1  -0.890258D+01 -0.151780D+02 -0.631582D+01  0.115219D+02 -0.749664D+01
      2  -0.269629D+01  0.402383D+01 -0.480022D+01  0.800930D+01  0.225532D+01
      3   0.115989D+02  0.111542D+02  0.111160D+02 -0.195312D+02  0.524132D+01
      4  -0.116146D+02 -0.467650D+01 -0.135533D+02 -0.133277D+02 -0.122732D+02
      5  -0.138863D+02 -0.167897D+00 -0.143020D+02  0.283179D+02  0.125839D+02
      6  -0.490400D+00 -0.103062D+01 -0.399021D+00  0.568582D+01 -0.508354D+01
                11            12            13            14            15 
      1  -0.114233D+02  0.106887D+02 -0.157091D+02  0.110367D+02  0.712223D+01
      2   0.575122D+01 -0.720929D+01  0.799055D+01 -0.883585D+01 -0.112316D+02
      3   0.567211D+01 -0.347941D+01  0.771852D+01 -0.220083D+01  0.410935D+01
      4   0.446158D+01  0.171992D+01  0.116104D+02  0.561037D+01  0.600924D+01
      5   0.352386D+01 -0.151091D+01  0.733953D+01  0.681795D+01  0.795411D+01
      6   0.185192D+01 -0.670531D+00  0.100602D+01 -0.105856D+02 -0.347561D+01
                16            17            18            19            20 
      1   0.146159D+02  0.564569D+01  0.487513D+01 -0.799920D+01 -0.120471D+01
      2  -0.727513D+01 -0.361052D+01 -0.519654D+01  0.107281D+02  0.773387D+00
      3  -0.734079D+01 -0.203517D+01  0.321414D+00 -0.272888D+01  0.431319D+00
      4   0.569176D+01  0.538335D+01  0.967786D+01 -0.163837D+01  0.483933D+01
      5  -0.107608D+00  0.957582D+01 -0.108988D+02 -0.305270D+01  0.349884D+00
      6   0.100960D+01 -0.596241D+01  0.165819D+01  0.429519D+01 -0.293646D+01
                21            22            23            24            25 
      1  -0.117644D-01  0.862429D+01  0.393815D+01 -0.146513D+01 -0.529434D+01
      2   0.222864D+01 -0.333534D+01 -0.661553D+01 -0.357789D+01  0.397756D+01
      3  -0.221688D+01 -0.528895D+01  0.267737D+01  0.504301D+01  0.131678D+01
      4   0.183289D+01 -0.806832D+01  0.759851D+01  0.118998D+01 -0.498250D+01
      5   0.264515D+00 -0.248781D+01  0.586904D+00  0.406891D+01 -0.100666D+01
      6   0.870262D+00 -0.872092D+00  0.760633D+00 -0.610899D+01 -0.128819D+01
                26            27            28            29            30 
      1  -0.649323D+00  0.106491D+02 -0.670577D+01  0.135475D+02  0.281133D+01
      2  -0.100409D+02  0.817648D+01  0.636988D+00 -0.107911D+02 -0.713426D+01
      3   0.106902D+02 -0.188256D+02  0.606878D+01 -0.275638D+01  0.432293D+01
      4   0.161377D+01 -0.568833D+00  0.748485D+01 -0.898986D+01 -0.345420D+01
      5  -0.188744D+01  0.108782D+01  0.411192D+01 -0.353590D+01 -0.789008D+01
      6  -0.359636D+01  0.926941D+01 -0.156616D+01 -0.292519D+01 -0.112403D+01
                31            32            33            34            35 
      1   0.127212D+01  0.657330D+01  0.256267D+01  0.374076D+01 -0.267319D+01
      2  -0.408938D+01 -0.158965D+02  0.539254D+01 -0.424560D+01 -0.126662D+01
      3   0.281726D+01  0.932323D+01 -0.795521D+01  0.504839D+00  0.393981D+01
      4  -0.197369D+02 -0.243444D+02 -0.572556D+01 -0.105457D+02 -0.253560D+01
      5  -0.102645D+02 -0.784007D+01 -0.551216D+01 -0.127658D+00 -0.369819D+01
      6  -0.346851D+01 -0.860126D+01 -0.112783D+02 -0.318266D+01  0.201481D+01
                36            37            38            39            40 
      1  -0.488618D+01  0.517960D+02 -0.842976D+01 -0.572832D+01  0.736434D+01
      2  -0.274599D+01 -0.310031D+02  0.230852D+01  0.709105D+01 -0.819673D+01
      3   0.763218D+01 -0.207929D+02  0.612124D+01 -0.136273D+01  0.832398D+00
      4  -0.440113D+01 -0.177514D+02  0.161067D+02  0.258082D+01  0.174447D+02
      5   0.443661D+01 -0.985521D+01  0.164030D+01  0.167019D+02  0.469360D+00
      6  -0.719100D+01 -0.772237D+00  0.102581D+00 -0.284314D+01 -0.171546D+01
                41            42            43            44            45 
      1   0.129013D+02 -0.112954D+00 -0.321907D+01  0.357384D+01  0.691240D+01
      2  -0.617654D+01 -0.192946D+01  0.299260D+01 -0.242194D+01 -0.105349D+02
      3  -0.672480D+01  0.204242D+01  0.226473D+00 -0.115190D+01  0.362246D+01
      4   0.209596D+00 -0.474454D+00  0.484983D+01 -0.747283D+00 -0.338299D+01
      5  -0.104878D+00 -0.575861D+00  0.157355D+02 -0.357342D+01 -0.120210D+02
      6  -0.124337D+01  0.634372D+01 -0.110527D+01  0.425506D+01  0.163510D+01
                46            47            48            49            50 
      1   0.894460D+01  0.152047D+02 -0.106550D+02  0.140766D+02 -0.341407D+01
      2  -0.993193D+01 -0.810168D+00  0.620634D+01  0.159083D+00  0.648930D+01
      3   0.987332D+00 -0.143945D+02  0.444865D+01 -0.142357D+02 -0.307523D+01
      4   0.131891D+02 -0.183584D+02  0.619803D+01 -0.191346D+02  0.438618D+01
      5  -0.758363D+01  0.101283D+02 -0.567131D+01  0.843020D+01 -0.141610D+02
      6   0.174693D+02 -0.581703D+01 -0.342847D+01 -0.637171D+01  0.215544D+01
                51            52            53            54            55 
      1   0.346862D+01 -0.829461D+01  0.209987D+01 -0.642378D+01  0.168928D+02
      2   0.135739D+02  0.439741D+01  0.101629D+02  0.207400D+01 -0.137726D+02
      3  -0.170426D+02  0.389720D+01 -0.122628D+02  0.434978D+01 -0.312022D+01
      4  -0.938524D+01  0.366628D+01 -0.585766D+01 -0.987397D+01 -0.109822D+01
      5  -0.107390D+02 -0.731586D+01 -0.112115D+02  0.640667D+01 -0.933520D+00
      6  -0.823818D+01 -0.358307D+01 -0.560265D+01 -0.113833D+02 -0.109564D+01
                56            57            58            59            60 
      1   0.870030D+01  0.522285D-01  0.627265D+01 -0.895699D+01 -0.641646D+01
      2  -0.153093D+02  0.413703D+01 -0.142286D+02  0.107196D+02  0.102514D+02
      3   0.660903D+01 -0.418926D+01  0.795600D+01 -0.176258D+01 -0.383499D+01
      4  -0.419749D+01 -0.160823D+01  0.172588D+01 -0.152054D+02 -0.698787D-01
      5   0.194274D+00  0.221700D+01  0.743107D+00 -0.888466D+00 -0.286422D+01
      6   0.266066D+01 -0.850757D+01  0.161946D+01  0.133582D+02  0.617616D+01
                61            62            63            64            65 
      1  -0.270724D+01 -0.774730D+01  0.934087D+00  0.103167D+02  0.531855D+01
      2   0.718585D+01  0.145140D+02  0.122185D+01 -0.213302D+01  0.174585D+01
      3  -0.447861D+01 -0.676668D+01 -0.215593D+01 -0.818372D+01 -0.706440D+01
      4   0.155820D+00  0.109252D+01 -0.868934D+01  0.163855D+02  0.193036D+02
      5   0.329784D+01 -0.211374D+01 -0.402305D+01  0.700204D+01  0.600386D+01
      6  -0.940944D+01  0.216886D+01 -0.484480D+01  0.361518D+01  0.356461D+01
                66            67            68            69            70 
      1   0.106993D+01  0.839546D+01 -0.213321D+02 -0.616509D+01  0.317048D+01
      2  -0.788454D+00  0.213723D+01  0.400546D+02  0.156606D+01 -0.991810D+00
      3  -0.281476D+00 -0.105327D+02 -0.187225D+02  0.459903D+01 -0.217867D+01
      4   0.510605D+01  0.253704D+02  0.461150D+02  0.958483D+01  0.586921D+01
      5   0.943587D+01  0.723955D+01  0.115330D+02  0.116061D+02  0.104675D+02
      6   0.449511D+01  0.577195D+01  0.136146D+02  0.174917D+02  0.561794D+01
                71            72            73            74            75 
      1  -0.445553D+01 -0.554677D+01  0.102052D+01  0.573998D+00 -0.376296D+00
      2   0.236906D+01  0.421729D+00 -0.377240D+01 -0.625882D+00 -0.436850D+00
      3   0.208647D+01  0.512505D+01  0.275188D+01  0.518845D-01  0.813146D+00
      4   0.707184D+01  0.128027D+02 -0.330037D+00  0.185087D+01 -0.201768D+01
      5   0.131661D+02  0.104208D+02  0.340249D+00 -0.140036D+01  0.574209D+01
      6   0.143080D+02  0.986980D+01 -0.210941D+01  0.904101D+00 -0.710003D-01
                76            77            78            79            80 
      1   0.435668D+00 -0.558606D+01  0.343280D+01  0.601024D+00  0.566736D+01
      2   0.237985D+00  0.183065D+01 -0.584260D+00  0.326542D+00  0.612873D+00
      3  -0.673653D+00  0.375542D+01 -0.284854D+01 -0.927567D+00 -0.628024D+01
      4   0.267476D+01 -0.122254D+01  0.600434D+00 -0.425904D+00  0.968404D+00
      5  -0.604281D+00  0.139050D+00 -0.861048D+00  0.543513D+01  0.215013D+00
      6   0.100806D+01 -0.419002D+01  0.906822D+01  0.299333D+00  0.780988D+01
                81            82            83            84            85 
      1  -0.193873D+02 -0.682944D-01 -0.964628D+00 -0.274954D+01 -0.290501D+01
      2  -0.135846D+02  0.238090D+01  0.784286D+00  0.203025D+01  0.224519D+01
      3   0.329719D+02 -0.231261D+01  0.180342D+00  0.719296D+00  0.659824D+00
      4  -0.461844D+00  0.479910D-01  0.338603D+01  0.134726D+01  0.247945D+01
      5   0.119105D+01 -0.194213D+01  0.129440D+01  0.197777D+01  0.947727D+00
      6  -0.140634D+02  0.293833D+01  0.439001D+00  0.707418D+00  0.571383D+00
                86            87            88            89            90 
      1  -0.139472D+02 -0.511244D+01 -0.448485D+01 -0.654917D+01 -0.754965D+01
      2   0.184797D+02  0.737097D+01  0.244183D+01  0.436732D+01  0.222412D+01
      3  -0.453252D+01 -0.225853D+01  0.204302D+01  0.218185D+01  0.532553D+01
      4  -0.117635D+02 -0.481596D+01 -0.463269D+00 -0.527719D+01 -0.439708D+01
      5  -0.484727D+01 -0.655304D+01  0.270448D+01 -0.471373D+01 -0.390869D+01
      6   0.124932D+02  0.101365D+02  0.964395D+00  0.106821D+02  0.941646D+01
                91            92            93            94            95 
      1  -0.113180D+02 -0.419270D+01  0.104517D-01 -0.183463D+02 -0.622441D+01
      2   0.106973D+02  0.822353D+00  0.921215D-02  0.108827D+02  0.907785D+01
      3   0.620776D+00  0.337034D+01 -0.196638D-01  0.746360D+01 -0.285345D+01
      4  -0.553362D+01  0.150157D+01  0.267791D+00  0.704948D+01 -0.168373D+02
      5   0.486655D+00  0.672813D+00 -0.138968D+01  0.301663D+01 -0.334813D+01
      6   0.115086D+01 -0.755172D+00 -0.229456D+01 -0.775101D+00  0.295158D+01
                96            97            98            99           100 
      1   0.268733D-01 -0.179197D+01 -0.160047D+01 -0.679147D+00 -0.111255D+01
      2   0.663270D+00  0.148032D+01  0.130848D+01 -0.460805D+00  0.221505D+00
      3  -0.690144D+00  0.311653D+00  0.291990D+00  0.113995D+01  0.891049D+00
      4  -0.433571D+01  0.108215D+01 -0.343935D+01 -0.378824D+01  0.151750D+01
      5  -0.554402D+01  0.400112D+01 -0.326903D+01 -0.325489D+01  0.224577D+01
      6   0.194038D+01 -0.189713D+01  0.311488D+01  0.191202D+01  0.325128D+01
               101           102           103           104           105 
      1  -0.260606D+01 -0.166940D+01 -0.536193D-01 -0.200190D+01 -0.150495D+01
      2   0.372392D+01 -0.615674D+00  0.991836D+00  0.209901D+01  0.201212D+01
      3  -0.111786D+01  0.228508D+01 -0.938217D+00 -0.971066D-01 -0.507167D+00
      4   0.393733D+01  0.304851D+01  0.343801D+01  0.139465D+01  0.191411D+01
      5   0.793644D+00  0.347747D+01  0.588750D+00  0.202412D+01  0.975342D+00
      6   0.283945D+01  0.658838D+01  0.238747D+01  0.161862D+01  0.346522D+01
               106           107           108           109           110 
      1  -0.181710D+01 -0.504681D+01 -0.805729D+01 -0.234857D+01 -0.756138D+01
      2  -0.243222D+01  0.587857D+01 -0.454145D+01  0.676228D+01  0.154624D+02
      3   0.424931D+01 -0.831756D+00  0.125987D+02 -0.441371D+01 -0.790098D+01
      4   0.647797D+01  0.262959D+01  0.564381D+01  0.514402D+01  0.971166D+01
      5   0.402840D+01  0.103724D+01  0.528068D+01 -0.142283D+01 -0.113834D+01
      6   0.627709D+01  0.605959D+01  0.164934D+02 -0.244496D+01 -0.405503D+01
               111           112           113           114           115 
      1   0.570945D+00 -0.667718D+01 -0.183981D+02  0.345489D+01  0.307568D+01
      2  -0.286110D+01  0.132682D+02  0.343063D+02 -0.707458D+01 -0.509644D+01
      3   0.229016D+01 -0.659100D+01 -0.159082D+02  0.361970D+01  0.202076D+01
      4  -0.179302D+01  0.106691D+02  0.123323D+02 -0.333742D+01 -0.356916D+01
      5   0.209335D+01  0.137893D+00 -0.152052D+01  0.834904D+00  0.190053D+01
      6   0.321812D+01 -0.414553D+01 -0.902040D+01  0.663730D+01  0.416625D+01
               116           117           118           119           120 
      1   0.841137D+01 -0.494254D+01 -0.102040D+02 -0.979990D+01  0.112928D+02
      2  -0.136934D+02  0.610168D+01  0.568908D+01  0.649841D+01 -0.143831D+01
      3   0.528199D+01 -0.115914D+01  0.451495D+01  0.330149D+01 -0.985454D+01
      4  -0.491826D+01  0.340317D+01  0.688150D+01  0.428879D+01 -0.253674D+01
      5   0.162261D+01 -0.107903D+01 -0.938896D+01 -0.404977D+01  0.323579D+01
      6   0.102128D+02 -0.626276D+01 -0.829575D+01 -0.818990D+01  0.888486D+01
               121           122           123           124           125 
      1  -0.832036D+01 -0.906959D+01  0.663933D+01  0.724392D+01  0.534357D+01
      2   0.558831D+01  0.804655D+01 -0.381975D+01 -0.711652D+00 -0.254410D+01
      3   0.273206D+01  0.102303D+01 -0.281958D+01 -0.653227D+01 -0.279947D+01
      4   0.600910D+01  0.784454D+00  0.196869D+00 -0.224004D+01 -0.637706D+00
      5  -0.498637D+01 -0.340687D+00  0.137137D+01  0.579559D+01  0.243930D+01
      6  -0.512027D+01 -0.890725D+01  0.847201D+01  0.604539D+01  0.708570D+01
               126           127           128           129           130 
      1  -0.835866D+01  0.166848D+02 -0.734856D+01  0.223454D+01 -0.722481D+01
      2  -0.982011D+00 -0.397998D+01 -0.308617D+01 -0.310752D+01 -0.310103D+01
      3   0.934067D+01 -0.127048D+02  0.104347D+02  0.872981D+00  0.103258D+02
      4   0.284552D+01 -0.232499D+02  0.209110D+02 -0.826055D+01  0.200384D+02
      5  -0.298921D+01  0.174187D+02 -0.121966D+02  0.122076D+02 -0.114200D+02
      6  -0.639677D+01 -0.112540D+02  0.111831D+02 -0.716381D+01  0.930146D+01
               131           132           133           134           135 
      1  -0.689598D+00  0.145920D+01  0.390140D+00  0.104177D+01  0.134984D+00
      2   0.108629D+02 -0.177132D+01 -0.208391D+01 -0.669963D-01 -0.183062D+01
      3  -0.101733D+02  0.312122D+00  0.169377D+01 -0.974771D+00  0.169564D+01
      4  -0.221024D+02  0.821710D+01 -0.373800D+01  0.421817D+01 -0.529664D+01
      5   0.117964D+02 -0.688783D+01  0.861066D+01 -0.522843D+01  0.572334D+01
      6  -0.137381D+02  0.998473D+01 -0.525975D+01  0.763332D+01 -0.446012D+01
               136           137           138           139           140 
      1   0.143415D+01  0.772503D+00  0.248876D+01  0.232677D+01 -0.212005D+01
      2  -0.309103D+01 -0.287586D+01 -0.470039D+01 -0.455282D+01 -0.399379D+01
      3   0.165688D+01  0.210335D+01  0.221163D+01  0.222605D+01  0.611384D+01
      4   0.111696D+01  0.539179D+01  0.912467D+00  0.440676D+01  0.809693D+01
      5   0.610447D+01  0.260637D+01  0.844412D+01  0.606474D+01  0.797499D+01
      6   0.366295D+00  0.304938D+01  0.151058D+01  0.226354D+01  0.113718D+02
               141           142           143           144           145 
      1  -0.516682D+01  0.188080D+01 -0.291013D+01 -0.775007D+01  0.206300D+01
      2  -0.104424D+02 -0.432396D+01 -0.712252D+01 -0.129635D+02 -0.338175D+01
      3   0.156092D+02  0.244316D+01  0.100327D+02  0.207136D+02  0.131876D+01
      4   0.595900D+01  0.251047D+00  0.510460D+01  0.515204D+01 -0.692157D+00
      5   0.125262D+02  0.747049D+01  0.642407D+01  0.132406D+02 -0.381550D+01
      6   0.780699D+01  0.130320D+01  0.904713D+01  0.659613D+01 -0.722911D+00
               146           147           148           149           150 
      1  -0.584617D+00 -0.529783D+01 -0.720628D+00 -0.561524D+00  0.288348D+01
      2   0.337115D+00  0.251433D+01 -0.107494D+00 -0.716947D+00  0.167849D+01
      3   0.247502D+00  0.278350D+01  0.828122D+00  0.127847D+01 -0.456198D+01
      4   0.252160D+01 -0.108239D+01  0.539832D+01  0.516173D+01 -0.555471D+01
      5  -0.742362D+00  0.613313D+01 -0.198581D+01 -0.533361D+01  0.920143D+01
      6  -0.180433D+00  0.386750D+00 -0.154117D+01 -0.351536D+01  0.809589D+01
               151           152           153           154           155 
      1  -0.855209D+01  0.309578D+01 -0.132336D+02  0.100877D+02  0.470157D+01
      2   0.870761D+01  0.181995D+01 -0.192536D+02 -0.221294D+01  0.308823D+00
      3  -0.155524D+00 -0.491573D+01  0.324873D+02 -0.787478D+01 -0.501039D+01
      4  -0.292227D+01 -0.697346D+01  0.867252D+01  0.616717D+01  0.120572D+02
      5   0.149868D+02  0.942160D+01 -0.442334D+02  0.312365D+01  0.312855D+01
      6   0.963821D+00  0.777679D+01 -0.821873D+01  0.127205D+01 -0.512724D+00
               156           157           158           159           160 
      1   0.395361D+01  0.106632D+02  0.574389D+01  0.178192D+01  0.105112D+02
      2  -0.934536D+00 -0.205683D+01  0.948321D+01  0.355395D+01 -0.423422D+01
      3  -0.301908D+01 -0.860641D+01 -0.152271D+02 -0.533587D+01 -0.627700D+01
      4   0.411746D+01  0.169757D+02  0.295808D+02  0.830041D+01  0.706903D+01
      5   0.316001D+01  0.189668D+01  0.807044D+01  0.105932D+02  0.464128D+01
      6   0.444246D+00 -0.188892D+00  0.434898D+00  0.340014D+01  0.165250D+01
               161           162           163           164           165 
      1   0.307115D+01  0.476138D-01  0.569472D+02 -0.199795D+02  0.730130D+00
      2   0.274741D+01 -0.410158D+00 -0.274549D+02  0.909978D+01  0.783229D+00
      3  -0.581856D+01  0.362544D+00 -0.294923D+02  0.108797D+02 -0.151336D+01
      4   0.126172D+02  0.841054D+01 -0.230498D+02  0.176419D+02  0.428624D+00
      5   0.883032D+01  0.612700D+01 -0.665343D+01  0.259364D+01  0.834753D+01
      6   0.323379D+01  0.228775D+01  0.397716D+01 -0.331610D+01 -0.972172D+00
               166           167           168           169           170 
      1  -0.300040D+02  0.143845D+02  0.106638D+01  0.754456D+01 -0.950686D+00
      2   0.131139D+02 -0.248100D+01 -0.103919D+01 -0.270340D+01  0.838576D+00
      3   0.168900D+02 -0.119035D+02 -0.271902D-01 -0.484116D+01  0.112111D+00
      4   0.222263D+02 -0.177784D+02  0.118868D+01 -0.154973D+01  0.324037D+01
      5   0.519045D+01 -0.488323D+00 -0.570801D+01  0.822797D+01 -0.259302D+01
      6  -0.351574D+01  0.335815D+01  0.240676D+01 -0.140174D+01  0.218728D+01
               171 
      1   0.385021D+01
      2  -0.361442D+01
      3  -0.235790D+00
      4  -0.242042D+01
      5  -0.197730D+01
      6  -0.581295D+00
 Leave Link  716 at Thu Aug 12 19:53:38 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.885776D+02  0.141636D+00 -0.215284D+01
      2   0.141636D+00  0.820296D+02  0.142203D+01
      3  -0.215284D+01  0.142203D+01  0.718342D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.658808D+00 -0.352965D+00  0.115699D+01
      2   0.316985D+01 -0.838829D+01  0.346475D+02
      3   0.737109D+01 -0.168384D+02  0.920524D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.742919D+02 -0.936802D+01 -0.313171D+01
      2  -0.424366D+02  0.109742D+02 -0.110739D+00
      3  -0.318553D+02 -0.160618D+01  0.324245D+01
      4  -0.284123D+01  0.385592D+02 -0.221511D+02
      5   0.550177D+01 -0.241334D+02  0.767879D+02
      6  -0.965316D+01  0.820968D+01  0.420763D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.128801D+01  0.413728D+01 -0.239864D+01  0.481316D+01 -0.322175D+01
      2   0.413728D+01 -0.246797D+01 -0.107835D+01 -0.322175D+01 -0.224587D+01
      3  -0.239864D+01 -0.107835D+01  0.827548D+00 -0.963249D+00 -0.215130D+01
                 6             7             8             9            10 
      1  -0.963249D+00 -0.272005D+01 -0.598414D+00 -0.469076D+00  0.239279D+01
      2  -0.215130D+01 -0.598414D+00 -0.216802D+01 -0.329001D+01 -0.373185D+01
      3  -0.286926D+01 -0.469076D+00 -0.329001D+01  0.673219D+01  0.294305D+01
                11            12            13            14            15 
      1  -0.373185D+01  0.294305D+01 -0.497256D+01  0.169526D+01  0.115471D+01
      2   0.205687D+01  0.131970D+01  0.169526D+01  0.269956D+01  0.254143D+01
      3   0.131970D+01 -0.344313D+00  0.115471D+01  0.254143D+01  0.345800D+01
                16            17            18            19            20 
      1   0.327020D+01  0.912244D+00 -0.121778D+00 -0.822039D+00  0.366203D+01
      2   0.912244D+00  0.218795D+01  0.412366D+01  0.366203D+01 -0.999635D+00
      3  -0.121778D+00  0.412366D+01 -0.441174D+01 -0.504931D+00 -0.262691D+00
                21            22            23            24            25 
      1  -0.504931D+00  0.432432D+01  0.339484D+00  0.222737D+00 -0.844046D+00
      2  -0.262691D+00  0.339484D+00 -0.225700D+01 -0.121173D+01  0.839095D+00
      3  -0.450000D-01  0.222737D+00 -0.121173D+01 -0.123020D+01  0.367142D+00
                26            27            28            29            30 
      1   0.839095D+00  0.367142D+00 -0.231407D+01 -0.278762D+01 -0.441567D+00
      2  -0.122230D+01 -0.239844D+01 -0.278762D+01 -0.547949D-01  0.783857D+00
      3  -0.239844D+01  0.591933D+01 -0.441567D+00  0.783857D+00 -0.401610D+00
                31            32            33            34            35 
      1  -0.605965D+00  0.225797D+01  0.130181D+01 -0.453051D-01  0.154246D+01
      2   0.225797D+01  0.587366D+01  0.177705D+01  0.154246D+01  0.248254D+01
      3   0.130181D+01  0.177705D+01  0.883035D+00  0.438249D+00  0.809470D+00
                36            37            38            39            40 
      1   0.438249D+00 -0.806249D+01  0.152963D+01  0.157449D+01 -0.232630D+01
      2   0.809470D+00  0.152963D+01 -0.184056D+01 -0.596018D+00 -0.410131D+01
      3   0.246600D-02  0.157449D+01 -0.596018D+00 -0.103984D+01 -0.295508D+00
                41            42            43            44            45 
      1  -0.410131D+01 -0.295508D+00  0.135168D+01 -0.967383D+00 -0.213163D+01
      2  -0.207999D+01 -0.381707D+00 -0.967383D+00 -0.885253D+00  0.578629D+00
      3  -0.381707D+00 -0.159685D+00 -0.213163D+01  0.578629D+00  0.188708D+01
                46            47            48            49            50 
      1   0.271065D+00  0.517225D+01 -0.340583D+01  0.498558D+01 -0.223252D+01
      2   0.517225D+01 -0.239041D+01 -0.782082D+00 -0.223252D+01 -0.193458D+00
      3  -0.340583D+01 -0.782082D+00  0.526871D+00 -0.857706D+00 -0.324047D+01
                51            52            53            54            55 
      1  -0.857706D+00 -0.225213D+01 -0.865619D+00  0.297827D+00 -0.809613D+00
      2  -0.324047D+01 -0.865619D+00 -0.234399D+01 -0.334623D+01 -0.166333D+01
      3  -0.260291D+01  0.297827D+00 -0.334623D+01  0.260869D+01 -0.289178D+00
                56            57            58            59            60 
      1  -0.166333D+01 -0.289178D+00 -0.137080D+01 -0.348363D+01  0.194393D+00
      2  -0.306500D+01  0.377832D+00 -0.348363D+01  0.176642D+01  0.205516D+01
      3   0.377832D+00 -0.207553D+01  0.194393D+00  0.205516D+01  0.131307D+00
                61            62            63            64            65 
      1   0.116351D-01  0.458925D+00 -0.250619D+01 -0.140190D+01 -0.272974D+01
      2   0.458925D+00  0.242917D+01  0.445359D+00 -0.272974D+01 -0.181403D+01
      3  -0.250619D+01  0.445359D+00 -0.235332D+01 -0.101348D+01 -0.959154D+00
                66            67            68            69            70 
      1  -0.101348D+01 -0.417554D+01 -0.264626D+01 -0.791237D+00 -0.156465D+01
      2  -0.959154D+00 -0.264626D+01 -0.119009D+02 -0.233469D+01 -0.837448D+00
      3  -0.430563D+00 -0.791237D+00 -0.233469D+01 -0.270849D+01 -0.125957D+01
                71            72            73            74            75 
      1  -0.837448D+00 -0.125957D+01  0.292310D+00 -0.234727D+00 -0.106892D+01
      2  -0.198111D+01 -0.333222D+01 -0.234727D+00  0.138083D+00  0.186079D-01
      3  -0.333222D+01 -0.259989D+01 -0.106892D+01  0.186079D-01  0.116592D-01
                76            77            78            79            80 
      1  -0.597820D+00 -0.848969D-01  0.181854D+00 -0.182970D+01 -0.400357D-01
      2  -0.848969D-01  0.149457D+01 -0.126851D+01 -0.400357D-01 -0.170327D+01
      3   0.181854D+00 -0.126851D+01  0.130469D+01 -0.263709D+00  0.190069D+01
                81            82            83            84            85 
      1  -0.263709D+00 -0.136743D+01 -0.372867D+00 -0.111635D+01 -0.102420D+01
      2   0.190069D+01 -0.372867D+00 -0.271621D+00 -0.924059D-01 -0.423733D+00
      3  -0.824685D+01 -0.111635D+01 -0.924059D-01 -0.223290D+00 -0.240428D+00
                86            87            88            89            90 
      1  -0.423733D+00 -0.240428D+00 -0.172299D+01 -0.253846D+00  0.329712D-02
      2  -0.583859D+01 -0.240260D+01 -0.253846D+00 -0.247473D+01 -0.237113D+01
      3  -0.240260D+01 -0.275272D+01  0.329712D-02 -0.237113D+01 -0.214847D+01
                91            92            93            94            95 
      1   0.102796D+01  0.221603D+01  0.118721D+00  0.511755D+01  0.540060D+00
      2   0.221603D+01  0.408458D+00  0.189396D+00  0.540060D+00  0.463503D+01
      3   0.118721D+00  0.189396D+00 -0.311117D+00 -0.423829D+00  0.106462D+01
                96            97            98            99           100 
      1  -0.423829D+00  0.835719D+00 -0.413235D-01 -0.806547D+00  0.443809D+00
      2   0.106462D+01 -0.413235D-01  0.984227D+00  0.745649D+00  0.487286D+00
      3   0.117601D+01 -0.806547D+00  0.745649D+00  0.979845D+00  0.109863D+01
               101           102           103           104           105 
      1   0.487286D+00  0.109863D+01  0.324966D+00  0.591776D+00  0.718210D-01
      2   0.105061D+01  0.341573D+00  0.591776D+00  0.394274D+00  0.803291D+00
      3   0.341573D+00  0.171542D+01  0.718210D-01  0.803291D+00  0.149268D+00
               106           107           108           109           110 
      1   0.244167D+01 -0.185458D-02  0.197189D+01  0.116764D+01  0.183374D+01
      2  -0.185458D-02  0.236108D+01  0.863850D+00  0.183374D+01  0.317685D+01
      3   0.197189D+01  0.863850D+00  0.507652D+01 -0.285684D+00 -0.536887D+00
               111           112           113           114           115 
      1  -0.285684D+00  0.278635D+01  0.285722D+01 -0.583754D+00 -0.129596D+01
      2  -0.536887D+00  0.285722D+01  0.676059D+01 -0.121159D+01 -0.113196D+01
      3   0.636352D+00 -0.583754D+00 -0.121159D+01  0.132358D+01  0.682724D+00
               116           117           118           119           120 
      1  -0.113196D+01  0.682724D+00 -0.476003D+01 -0.209524D+01  0.188080D+01
      2  -0.307013D+01  0.151006D+01 -0.209524D+01 -0.177096D+01  0.141327D+01
      3   0.151006D+01 -0.118137D+01  0.188080D+01  0.141327D+01 -0.276372D+01
               121           122           123           124           125 
      1  -0.225450D+01 -0.113023D+01  0.826713D+00  0.134824D+01  0.834669D+00
      2  -0.113023D+01 -0.214596D+01  0.160089D+01  0.834669D+00  0.113873D+01
      3   0.826713D+00  0.160089D+01 -0.122970D+01 -0.140119D+01 -0.740752D+00
               126           127           128           129           130 
      1  -0.140119D+01  0.473519D+01 -0.340865D+01  0.187138D+01 -0.326044D+01
      2  -0.740752D+00 -0.340865D+01  0.329071D+01 -0.119715D+01  0.293061D+01
      3   0.172235D+01  0.187138D+01 -0.119715D+01  0.176976D+01 -0.990056D+00
               131           132           133           134           135 
      1   0.293061D+01 -0.990056D+00  0.770025D+00 -0.541270D+00  0.102837D+01
      2  -0.415531D+01  0.184349D+01 -0.541270D+00  0.975482D+00 -0.742614D+00
      3   0.184349D+01 -0.126060D+01  0.102837D+01 -0.742614D+00  0.780680D+00
               136           137           138           139           140 
      1   0.804941D+00  0.185250D+00  0.120799D+01  0.912070D+00  0.509184D+00
      2   0.185250D+00  0.837516D+00  0.456390D+00  0.509184D+00  0.334698D+01
      3   0.120799D+01  0.456390D+00  0.997337D+00  0.845728D+00  0.196205D+01
               141           142           143           144           145 
      1   0.845728D+00  0.107099D+01  0.286957D+00  0.716452D+00  0.235658D+00
      2   0.196205D+01  0.286957D+00  0.200765D+01  0.186078D+01 -0.910717D-01
      3   0.357028D+01  0.716452D+00  0.186078D+01  0.397731D+01 -0.785806D+00
               146           147           148           149           150 
      1  -0.910717D-01 -0.785806D+00 -0.346264D-01  0.688878D+00 -0.265034D+00
      2   0.100932D+00  0.144983D+00  0.688878D+00  0.105645D+01 -0.120704D+01
      3   0.144983D+00 -0.135465D+00 -0.265034D+00 -0.120704D+01  0.174422D+01
               151           152           153           154           155 
      1  -0.205216D+01 -0.334168D+00  0.178639D+01  0.142165D+01  0.920118D+00
      2  -0.334168D+00 -0.146777D+01  0.205944D+01  0.920118D+00  0.138255D+01
      3   0.178639D+01  0.205944D+01 -0.926594D+01  0.685784D+00  0.432754D+00
               156           157           158           159           160 
      1   0.685784D+00  0.239365D+01  0.210774D+01  0.270707D+00  0.199643D+01
      2   0.432754D+00  0.210774D+01  0.515613D+01  0.148690D+01  0.846508D+00
      3   0.343848D+00  0.270707D+00  0.148690D+01  0.181283D+01  0.638575D+00
               161           162           163           164           165 
      1   0.846508D+00  0.638575D+00  0.803256D+01 -0.302851D+01 -0.704652D-01
      2   0.224781D+01  0.157332D+01 -0.302851D+01  0.223240D+01  0.263837D-01
      3   0.157332D+01  0.967360D+00 -0.704652D-01  0.263837D-01  0.941649D+00
               166           167           168           169           170 
      1  -0.503491D+01  0.280615D+01  0.340323D+00  0.123038D+01 -0.107536D+00
      2   0.280615D+01 -0.236661D+01  0.274738D+00 -0.107536D+00  0.501950D+00
      3   0.340323D+00  0.274738D+00 -0.739657D+00  0.102877D+01 -0.249497D+00
               171 
      1   0.102877D+01
      2  -0.249497D+00
      3  -0.446226D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.292995D+01  0.242038D+01  0.113324D+01  0.307381D+01  0.230371D+01
      2  -0.818054D+01  0.824505D+00  0.126030D+01  0.175357D+01 -0.901307D+01
      3  -0.119387D+02  0.638073D+01  0.315649D+01  0.137322D+02  0.777204D+01
                 6             7             8             9            10 
      1   0.643965D+00  0.206670D+01  0.435366D+01  0.728933D-02  0.356470D+01
      2  -0.933054D+01 -0.691092D+01 -0.101468D+02  0.191271D+02  0.827372D+01
      3   0.572965D+01  0.929475D+00  0.684981D+01  0.893292D+01  0.440454D+01
                11            12            13            14            15 
      1  -0.527460D+00 -0.211436D+00 -0.403320D+00  0.349795D+01 -0.238234D+01
      2  -0.922068D+00  0.380880D+01 -0.205525D+01  0.452708D+01  0.411032D+01
      3  -0.256884D+01 -0.200290D+01  0.389367D+01 -0.686942D+01 -0.555309D+01
                16            17            18            19            20 
      1   0.106000D+00  0.417637D+01 -0.286585D+01 -0.363188D+01  0.109613D+01
      2  -0.353067D+01  0.479581D+01 -0.429730D+01 -0.160769D+01  0.106528D+01
      3  -0.242811D+01 -0.449275D+01 -0.480870D+01  0.172405D+01 -0.372376D+01
                21            22            23            24            25 
      1  -0.967347D+00  0.398014D+00  0.147161D+01  0.156710D+01 -0.158836D+01
      2   0.556420D+00  0.551778D+01 -0.232009D+01  0.258963D+01 -0.356423D+01
      3   0.949618D+00  0.479942D+00 -0.308981D+01  0.161132D+01 -0.160094D+01
                26            27            28            29            30 
      1   0.583502D+01  0.564474D+00  0.131958D+01  0.128191D+01  0.201226D+00
      2   0.931719D+00 -0.215954D+01 -0.536854D+01  0.452049D+00 -0.462656D+01
      3   0.132331D+01  0.900071D+00 -0.855610D+01  0.332917D+00 -0.105626D+01
                31            32            33            34            35 
      1   0.269045D+01 -0.565668D+01  0.710532D+01  0.122293D+01  0.675781D+01
      2   0.632562D+01  0.417748D+00 -0.255995D+01 -0.187035D+02 -0.250923D+01
      3   0.566024D+00  0.130832D+02  0.236993D+00 -0.275674D+01  0.135579D-01
                36            37            38            39            40 
      1   0.534341D+01 -0.157866D+01 -0.273233D+01  0.238924D+01 -0.190984D+01
      2   0.380886D+01  0.496074D+00  0.259331D+01  0.899605D+01  0.200214D+01
      3   0.851892D+00 -0.334035D+01 -0.153516D+02 -0.144976D+01 -0.126890D+02
                41            42            43            44            45 
      1  -0.220744D+01 -0.393835D+01  0.216552D-01  0.225085D+01 -0.149855D+01
      2   0.244550D+01  0.116356D+01  0.688083D+01  0.425143D+00 -0.551352D+01
      3  -0.134090D+02 -0.201228D+01 -0.664576D+00 -0.604282D+00  0.844315D+00
                46            47            48            49            50 
      1   0.506653D+01 -0.514389D+01 -0.558066D+00 -0.438157D+01 -0.380491D+01
      2  -0.599762D+01 -0.104942D+02  0.104073D+02 -0.853443D+01 -0.138990D+01
      3  -0.845368D+01 -0.449012D+01  0.551632D+01 -0.872417D+00  0.370996D+01
                51            52            53            54            55 
      1  -0.129418D+02 -0.130860D+01 -0.763005D+01 -0.212056D+01  0.984365D+00
      2  -0.308384D+01  0.277862D+01 -0.340912D+01  0.201389D+01  0.526754D+00
      3   0.559472D+01  0.421545D+01  0.502690D+01  0.425054D+01 -0.311525D+01
                56            57            58            59            60 
      1  -0.391731D+01  0.655638D+01 -0.400983D+01 -0.815845D+01 -0.492019D+01
      2   0.215119D+01  0.637953D+01 -0.461385D+00  0.424045D+00 -0.163073D+01
      3  -0.121295D+02 -0.222421D+01  0.117153D+01 -0.434695D+01  0.196022D+01
                61            62            63            64            65 
      1   0.735453D+01  0.458752D+01  0.548354D+01  0.247886D+00  0.876839D+00
      2  -0.159118D+01 -0.119405D+01  0.220522D+01  0.137252D+01  0.569010D+00
      3   0.695780D+00  0.429763D+01 -0.622026D+01 -0.107935D+01 -0.530518D+01
                66            67            68            69            70 
      1  -0.244810D+01  0.253867D+00  0.518533D+01 -0.103277D+02 -0.509200D+00
      2   0.506674D+01 -0.666596D+01  0.118772D+01  0.529593D+01  0.138541D+01
      3  -0.906599D+00  0.951533D+01 -0.200063D+02 -0.223253D+01  0.145573D+01
                71            72            73            74            75 
      1   0.202429D+01 -0.218839D+01  0.572369D+00 -0.501585D+00  0.712561D-01
      2   0.562182D+01  0.292206D+01  0.118726D+01 -0.201306D+00  0.180527D+00
      3  -0.220425D+01 -0.555924D+01  0.640295D+00 -0.368434D+00 -0.518194D+00
                76            77            78            79            80 
      1  -0.258231D+00 -0.194320D+01 -0.805005D+00  0.293748D+00  0.278423D+01
      2  -0.377727D+00  0.484692D+00 -0.359383D+00 -0.372444D+01  0.456619D-01
      3   0.155849D+01  0.363839D+00 -0.315641D+00 -0.876534D+00 -0.498820D+00
                81            82            83            84            85 
      1   0.209830D+01 -0.101625D+01  0.136471D+00 -0.245821D+00 -0.222738D+00
      2   0.891167D+00 -0.300508D+01 -0.277843D+00 -0.195064D+00 -0.183684D+01
      3  -0.641486D-01  0.299682D+01  0.610293D+00  0.121476D+01  0.497119D+01
                86            87            88            89            90 
      1   0.103296D+01 -0.336938D+01  0.469330D-01  0.747585D+00 -0.969043D+00
      2  -0.282635D+01 -0.324438D+01 -0.300579D+01 -0.268488D+01 -0.236772D+01
      3   0.791678D+01  0.361033D+01  0.271058D+01  0.351871D+01  0.319103D+01
                91            92            93            94            95 
      1   0.136831D+01  0.178326D+01  0.149647D+01  0.198112D+01  0.259312D+01
      2  -0.236599D+01 -0.231207D+01 -0.169532D+01 -0.258566D+01 -0.465503D+01
      3   0.619601D+01  0.916848D+01  0.951928D+00  0.134631D+02  0.185717D+02
                96            97            98            99           100 
      1  -0.416372D+00  0.142851D+01  0.170730D+01 -0.274022D+00 -0.312757D+01
      2  -0.377855D+01 -0.215381D+01 -0.269990D+01 -0.143540D+01 -0.195026D+01
      3   0.340904D+01  0.164678D+01  0.261467D+01  0.485373D+00  0.211165D+01
               101           102           103           104           105 
      1   0.123667D+01 -0.551580D+01  0.110599D+01 -0.236831D+01  0.406705D+00
      2  -0.252895D-01 -0.106364D+01  0.272215D+00 -0.113344D+01  0.748415D+00
      3   0.263446D-02  0.271997D+01  0.585774D+00  0.123272D+01  0.400505D-01
               106           107           108           109           110 
      1  -0.638738D+01  0.152808D+01 -0.119477D+02  0.119189D+01  0.280407D+01
      2  -0.450750D+01  0.631515D+00 -0.238156D+01  0.450229D+00 -0.306027D+00
      3   0.632186D+01 -0.599060D+00  0.540660D+01  0.440318D+01  0.371144D+01
               111           112           113           114           115 
      1  -0.271832D+01  0.340279D+01  0.521302D+01 -0.449823D+01 -0.268709D+01
      2   0.215311D+00 -0.293427D+00 -0.376884D+00  0.675813D+00 -0.997032D+00
      3  -0.973588D+00  0.933784D+01  0.714505D+01 -0.213264D+01 -0.459326D+01
               116           117           118           119           120 
      1  -0.364508D+01  0.303307D+01 -0.175878D+01 -0.229586D+01 -0.182615D+01
      2   0.203175D+00 -0.234572D+00  0.123035D+02  0.485378D+01 -0.375538D+01
      3  -0.353737D+01  0.211875D+01  0.100002D+02  0.296423D+01 -0.329907D+01
               121           122           123           124           125 
      1  -0.131013D+01 -0.146700D+01  0.159332D-01 -0.405136D+00  0.229178D+01
      2   0.525784D+01  0.343268D+01 -0.186389D+01 -0.530081D+01 -0.219279D+01
      3   0.573190D+01  0.302965D+01 -0.264850D+01 -0.257127D+01 -0.152994D+01
               126           127           128           129           130 
      1   0.775096D+00 -0.316784D+01  0.455141D+01  0.161856D+01  0.333516D+01
      2   0.339427D+01 -0.486431D+01  0.320917D+01  0.232504D+01  0.439527D+01
      3   0.263097D+01 -0.126439D+01 -0.293379D+01  0.313694D-01  0.164252D+01
               131           132           133           134           135 
      1  -0.406390D+01 -0.626296D+00  0.750095D-01  0.198813D+01 -0.953507D-01
      2  -0.172459D+01 -0.130262D+01 -0.145346D+01  0.252111D+00 -0.980389D-01
      3   0.338126D+01 -0.157765D+01 -0.686149D+00 -0.111571D+01 -0.225912D+00
               136           137           138           139           140 
      1   0.159767D+01  0.203794D+01  0.143822D+01  0.989726D+00  0.113580D+02
      2   0.411592D+00  0.273371D+00  0.572190D+00 -0.164327D+01  0.268567D+01
      3  -0.400586D+00 -0.212780D+01 -0.166431D+01  0.669145D+00 -0.712149D+01
               141           142           143           144           145 
      1   0.510993D+01  0.138943D+01  0.823783D+01  0.658135D+01  0.188135D+00
      2   0.427075D+01 -0.237276D+01  0.199975D+01  0.434725D+01 -0.241527D+01
      3  -0.333443D+01 -0.778306D+00 -0.358670D+01 -0.339877D+01  0.285658D+00
               146           147           148           149           150 
      1   0.385350D-01 -0.126914D+00 -0.350299D+00 -0.140788D+01 -0.509675D+00
      2  -0.448247D-01  0.229596D+00  0.478706D-01 -0.214296D+01  0.481966D+01
      3  -0.984128D+00 -0.310585D+00 -0.491521D+00 -0.290756D+01  0.273664D+01
               151           152           153           154           155 
      1  -0.837775D-01  0.377116D+01  0.881881D+00 -0.107380D+01 -0.137792D+01
      2  -0.100250D+01  0.523890D+01 -0.229772D+02  0.327469D+01  0.196293D+01
      3  -0.302016D+00  0.417530D+01 -0.542241D+01 -0.302138D+01 -0.448204D+01
               156           157           158           159           160 
      1  -0.108069D+01 -0.147213D+01 -0.410667D+01 -0.426741D+01 -0.936506D+00
      2   0.221449D+01  0.175492D+01  0.674623D+01  0.659227D+01  0.965781D+00
      3  -0.918100D+00 -0.235613D+01 -0.162931D+02 -0.511435D+01 -0.722628D+00
               161           162           163           164           165 
      1  -0.964158D+00 -0.233070D+01  0.218328D+01 -0.176726D+01  0.794059D+00
      2   0.522325D+01  0.394043D+01  0.638201D+01 -0.265990D+01  0.503828D+01
      3  -0.767290D+01 -0.455429D+01  0.833567D+01 -0.971729D+01  0.696168D-01
               166           167           168           169           170 
      1  -0.183584D+01  0.181762D+01 -0.176069D+01 -0.276907D-01  0.209428D+00
      2  -0.287327D+01  0.323093D+01 -0.311247D+01  0.252222D+01 -0.604128D+00
      3  -0.662387D+01  0.790955D+01 -0.108660D+01  0.487408D-02 -0.197812D+01
               171 
      1   0.235276D+00
      2  -0.106637D+00
      3   0.641274D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.108308D+02  0.254649D+02 -0.122858D+02  0.304353D+02 -0.169627D+02
      2   0.231041D+01 -0.142119D+02  0.566152D+01 -0.167578D+02  0.263935D+01
      3   0.852042D+01 -0.112530D+02  0.662426D+01 -0.136775D+02  0.143234D+02
      4   0.278237D+02 -0.143356D+02 -0.538499D+01 -0.219994D+02 -0.118749D+02
      5  -0.109223D+02 -0.844450D+01  0.485802D+01 -0.103158D+02 -0.100699D+02
      6  -0.499102D+01  0.209323D+01 -0.304413D-01  0.163230D+01 -0.893865D+00
                 6             7             8             9            10 
      1  -0.890258D+01 -0.151780D+02 -0.631582D+01  0.115219D+02 -0.749664D+01
      2  -0.269629D+01  0.402383D+01 -0.480022D+01  0.800930D+01  0.225532D+01
      3   0.115989D+02  0.111542D+02  0.111160D+02 -0.195312D+02  0.524132D+01
      4  -0.116146D+02 -0.467650D+01 -0.135533D+02 -0.133277D+02 -0.122732D+02
      5  -0.138863D+02 -0.167897D+00 -0.143020D+02  0.283179D+02  0.125839D+02
      6  -0.490400D+00 -0.103062D+01 -0.399021D+00  0.568582D+01 -0.508354D+01
                11            12            13            14            15 
      1  -0.114233D+02  0.106887D+02 -0.157091D+02  0.110367D+02  0.712223D+01
      2   0.575122D+01 -0.720929D+01  0.799055D+01 -0.883585D+01 -0.112316D+02
      3   0.567211D+01 -0.347941D+01  0.771852D+01 -0.220083D+01  0.410935D+01
      4   0.446158D+01  0.171992D+01  0.116104D+02  0.561037D+01  0.600924D+01
      5   0.352386D+01 -0.151091D+01  0.733953D+01  0.681795D+01  0.795411D+01
      6   0.185192D+01 -0.670531D+00  0.100602D+01 -0.105856D+02 -0.347561D+01
                16            17            18            19            20 
      1   0.146159D+02  0.564569D+01  0.487513D+01 -0.799920D+01 -0.120471D+01
      2  -0.727513D+01 -0.361052D+01 -0.519654D+01  0.107281D+02  0.773387D+00
      3  -0.734079D+01 -0.203517D+01  0.321414D+00 -0.272888D+01  0.431319D+00
      4   0.569176D+01  0.538335D+01  0.967786D+01 -0.163837D+01  0.483933D+01
      5  -0.107608D+00  0.957582D+01 -0.108988D+02 -0.305270D+01  0.349884D+00
      6   0.100960D+01 -0.596241D+01  0.165819D+01  0.429519D+01 -0.293646D+01
                21            22            23            24            25 
      1  -0.117644D-01  0.862429D+01  0.393815D+01 -0.146513D+01 -0.529434D+01
      2   0.222864D+01 -0.333534D+01 -0.661553D+01 -0.357789D+01  0.397756D+01
      3  -0.221688D+01 -0.528895D+01  0.267737D+01  0.504301D+01  0.131678D+01
      4   0.183289D+01 -0.806832D+01  0.759851D+01  0.118998D+01 -0.498250D+01
      5   0.264515D+00 -0.248781D+01  0.586904D+00  0.406891D+01 -0.100666D+01
      6   0.870262D+00 -0.872092D+00  0.760633D+00 -0.610899D+01 -0.128819D+01
                26            27            28            29            30 
      1  -0.649323D+00  0.106491D+02 -0.670577D+01  0.135475D+02  0.281133D+01
      2  -0.100409D+02  0.817648D+01  0.636988D+00 -0.107911D+02 -0.713426D+01
      3   0.106902D+02 -0.188256D+02  0.606878D+01 -0.275638D+01  0.432293D+01
      4   0.161377D+01 -0.568833D+00  0.748485D+01 -0.898986D+01 -0.345420D+01
      5  -0.188744D+01  0.108782D+01  0.411192D+01 -0.353590D+01 -0.789008D+01
      6  -0.359636D+01  0.926941D+01 -0.156616D+01 -0.292519D+01 -0.112403D+01
                31            32            33            34            35 
      1   0.127212D+01  0.657330D+01  0.256267D+01  0.374076D+01 -0.267319D+01
      2  -0.408938D+01 -0.158965D+02  0.539254D+01 -0.424560D+01 -0.126662D+01
      3   0.281726D+01  0.932323D+01 -0.795521D+01  0.504839D+00  0.393981D+01
      4  -0.197369D+02 -0.243444D+02 -0.572556D+01 -0.105457D+02 -0.253560D+01
      5  -0.102645D+02 -0.784007D+01 -0.551216D+01 -0.127658D+00 -0.369819D+01
      6  -0.346851D+01 -0.860126D+01 -0.112783D+02 -0.318266D+01  0.201481D+01
                36            37            38            39            40 
      1  -0.488618D+01  0.517960D+02 -0.842976D+01 -0.572832D+01  0.736434D+01
      2  -0.274599D+01 -0.310031D+02  0.230852D+01  0.709105D+01 -0.819673D+01
      3   0.763218D+01 -0.207929D+02  0.612124D+01 -0.136273D+01  0.832398D+00
      4  -0.440113D+01 -0.177514D+02  0.161067D+02  0.258082D+01  0.174447D+02
      5   0.443661D+01 -0.985521D+01  0.164030D+01  0.167019D+02  0.469360D+00
      6  -0.719100D+01 -0.772237D+00  0.102581D+00 -0.284314D+01 -0.171546D+01
                41            42            43            44            45 
      1   0.129013D+02 -0.112954D+00 -0.321907D+01  0.357384D+01  0.691240D+01
      2  -0.617654D+01 -0.192946D+01  0.299260D+01 -0.242194D+01 -0.105349D+02
      3  -0.672480D+01  0.204242D+01  0.226473D+00 -0.115190D+01  0.362246D+01
      4   0.209596D+00 -0.474454D+00  0.484983D+01 -0.747283D+00 -0.338299D+01
      5  -0.104878D+00 -0.575861D+00  0.157355D+02 -0.357342D+01 -0.120210D+02
      6  -0.124337D+01  0.634372D+01 -0.110527D+01  0.425506D+01  0.163510D+01
                46            47            48            49            50 
      1   0.894460D+01  0.152047D+02 -0.106550D+02  0.140766D+02 -0.341407D+01
      2  -0.993193D+01 -0.810168D+00  0.620634D+01  0.159083D+00  0.648930D+01
      3   0.987332D+00 -0.143945D+02  0.444865D+01 -0.142357D+02 -0.307523D+01
      4   0.131891D+02 -0.183584D+02  0.619803D+01 -0.191346D+02  0.438618D+01
      5  -0.758363D+01  0.101283D+02 -0.567131D+01  0.843020D+01 -0.141610D+02
      6   0.174693D+02 -0.581703D+01 -0.342847D+01 -0.637171D+01  0.215544D+01
                51            52            53            54            55 
      1   0.346862D+01 -0.829461D+01  0.209987D+01 -0.642378D+01  0.168928D+02
      2   0.135739D+02  0.439741D+01  0.101629D+02  0.207400D+01 -0.137726D+02
      3  -0.170426D+02  0.389720D+01 -0.122628D+02  0.434978D+01 -0.312022D+01
      4  -0.938524D+01  0.366628D+01 -0.585766D+01 -0.987397D+01 -0.109822D+01
      5  -0.107390D+02 -0.731586D+01 -0.112115D+02  0.640667D+01 -0.933520D+00
      6  -0.823818D+01 -0.358307D+01 -0.560265D+01 -0.113833D+02 -0.109564D+01
                56            57            58            59            60 
      1   0.870030D+01  0.522285D-01  0.627265D+01 -0.895699D+01 -0.641646D+01
      2  -0.153093D+02  0.413703D+01 -0.142286D+02  0.107196D+02  0.102514D+02
      3   0.660903D+01 -0.418926D+01  0.795600D+01 -0.176258D+01 -0.383499D+01
      4  -0.419749D+01 -0.160823D+01  0.172588D+01 -0.152054D+02 -0.698787D-01
      5   0.194274D+00  0.221700D+01  0.743107D+00 -0.888466D+00 -0.286422D+01
      6   0.266066D+01 -0.850757D+01  0.161946D+01  0.133582D+02  0.617616D+01
                61            62            63            64            65 
      1  -0.270724D+01 -0.774730D+01  0.934087D+00  0.103167D+02  0.531855D+01
      2   0.718585D+01  0.145140D+02  0.122185D+01 -0.213302D+01  0.174585D+01
      3  -0.447861D+01 -0.676668D+01 -0.215593D+01 -0.818372D+01 -0.706440D+01
      4   0.155820D+00  0.109252D+01 -0.868934D+01  0.163855D+02  0.193036D+02
      5   0.329784D+01 -0.211374D+01 -0.402305D+01  0.700204D+01  0.600386D+01
      6  -0.940944D+01  0.216886D+01 -0.484480D+01  0.361518D+01  0.356461D+01
                66            67            68            69            70 
      1   0.106993D+01  0.839546D+01 -0.213321D+02 -0.616509D+01  0.317048D+01
      2  -0.788454D+00  0.213723D+01  0.400546D+02  0.156606D+01 -0.991810D+00
      3  -0.281476D+00 -0.105327D+02 -0.187225D+02  0.459903D+01 -0.217867D+01
      4   0.510605D+01  0.253704D+02  0.461150D+02  0.958483D+01  0.586921D+01
      5   0.943587D+01  0.723955D+01  0.115330D+02  0.116061D+02  0.104675D+02
      6   0.449511D+01  0.577195D+01  0.136146D+02  0.174917D+02  0.561794D+01
                71            72            73            74            75 
      1  -0.445553D+01 -0.554677D+01  0.102052D+01  0.573998D+00 -0.376296D+00
      2   0.236906D+01  0.421729D+00 -0.377240D+01 -0.625882D+00 -0.436850D+00
      3   0.208647D+01  0.512505D+01  0.275188D+01  0.518845D-01  0.813146D+00
      4   0.707184D+01  0.128027D+02 -0.330037D+00  0.185087D+01 -0.201768D+01
      5   0.131661D+02  0.104208D+02  0.340249D+00 -0.140036D+01  0.574209D+01
      6   0.143080D+02  0.986980D+01 -0.210941D+01  0.904101D+00 -0.710003D-01
                76            77            78            79            80 
      1   0.435668D+00 -0.558606D+01  0.343280D+01  0.601024D+00  0.566736D+01
      2   0.237985D+00  0.183065D+01 -0.584260D+00  0.326542D+00  0.612873D+00
      3  -0.673653D+00  0.375542D+01 -0.284854D+01 -0.927567D+00 -0.628024D+01
      4   0.267476D+01 -0.122254D+01  0.600434D+00 -0.425904D+00  0.968404D+00
      5  -0.604281D+00  0.139050D+00 -0.861048D+00  0.543513D+01  0.215013D+00
      6   0.100806D+01 -0.419002D+01  0.906822D+01  0.299333D+00  0.780988D+01
                81            82            83            84            85 
      1  -0.193873D+02 -0.682944D-01 -0.964628D+00 -0.274954D+01 -0.290501D+01
      2  -0.135846D+02  0.238090D+01  0.784286D+00  0.203025D+01  0.224519D+01
      3   0.329719D+02 -0.231261D+01  0.180342D+00  0.719296D+00  0.659824D+00
      4  -0.461844D+00  0.479910D-01  0.338603D+01  0.134726D+01  0.247945D+01
      5   0.119105D+01 -0.194213D+01  0.129440D+01  0.197777D+01  0.947727D+00
      6  -0.140634D+02  0.293833D+01  0.439001D+00  0.707418D+00  0.571383D+00
                86            87            88            89            90 
      1  -0.139472D+02 -0.511244D+01 -0.448485D+01 -0.654917D+01 -0.754965D+01
      2   0.184797D+02  0.737097D+01  0.244183D+01  0.436732D+01  0.222412D+01
      3  -0.453252D+01 -0.225853D+01  0.204302D+01  0.218185D+01  0.532553D+01
      4  -0.117635D+02 -0.481596D+01 -0.463269D+00 -0.527719D+01 -0.439708D+01
      5  -0.484727D+01 -0.655304D+01  0.270448D+01 -0.471373D+01 -0.390869D+01
      6   0.124932D+02  0.101365D+02  0.964395D+00  0.106821D+02  0.941646D+01
                91            92            93            94            95 
      1  -0.113180D+02 -0.419270D+01  0.104517D-01 -0.183463D+02 -0.622441D+01
      2   0.106973D+02  0.822353D+00  0.921215D-02  0.108827D+02  0.907785D+01
      3   0.620776D+00  0.337034D+01 -0.196638D-01  0.746360D+01 -0.285345D+01
      4  -0.553362D+01  0.150157D+01  0.267791D+00  0.704948D+01 -0.168373D+02
      5   0.486655D+00  0.672813D+00 -0.138968D+01  0.301663D+01 -0.334813D+01
      6   0.115086D+01 -0.755172D+00 -0.229456D+01 -0.775101D+00  0.295158D+01
                96            97            98            99           100 
      1   0.268733D-01 -0.179197D+01 -0.160047D+01 -0.679147D+00 -0.111255D+01
      2   0.663270D+00  0.148032D+01  0.130848D+01 -0.460805D+00  0.221505D+00
      3  -0.690144D+00  0.311653D+00  0.291990D+00  0.113995D+01  0.891049D+00
      4  -0.433571D+01  0.108215D+01 -0.343935D+01 -0.378824D+01  0.151750D+01
      5  -0.554402D+01  0.400112D+01 -0.326903D+01 -0.325489D+01  0.224577D+01
      6   0.194038D+01 -0.189713D+01  0.311488D+01  0.191202D+01  0.325128D+01
               101           102           103           104           105 
      1  -0.260606D+01 -0.166940D+01 -0.536193D-01 -0.200190D+01 -0.150495D+01
      2   0.372392D+01 -0.615674D+00  0.991836D+00  0.209901D+01  0.201212D+01
      3  -0.111786D+01  0.228508D+01 -0.938217D+00 -0.971066D-01 -0.507167D+00
      4   0.393733D+01  0.304851D+01  0.343801D+01  0.139465D+01  0.191411D+01
      5   0.793644D+00  0.347747D+01  0.588750D+00  0.202412D+01  0.975342D+00
      6   0.283945D+01  0.658838D+01  0.238747D+01  0.161862D+01  0.346522D+01
               106           107           108           109           110 
      1  -0.181710D+01 -0.504681D+01 -0.805729D+01 -0.234857D+01 -0.756138D+01
      2  -0.243222D+01  0.587857D+01 -0.454145D+01  0.676228D+01  0.154624D+02
      3   0.424931D+01 -0.831756D+00  0.125987D+02 -0.441371D+01 -0.790098D+01
      4   0.647797D+01  0.262959D+01  0.564381D+01  0.514402D+01  0.971166D+01
      5   0.402840D+01  0.103724D+01  0.528068D+01 -0.142283D+01 -0.113834D+01
      6   0.627709D+01  0.605959D+01  0.164934D+02 -0.244496D+01 -0.405503D+01
               111           112           113           114           115 
      1   0.570945D+00 -0.667718D+01 -0.183981D+02  0.345489D+01  0.307568D+01
      2  -0.286110D+01  0.132682D+02  0.343063D+02 -0.707458D+01 -0.509644D+01
      3   0.229016D+01 -0.659100D+01 -0.159082D+02  0.361970D+01  0.202076D+01
      4  -0.179302D+01  0.106691D+02  0.123323D+02 -0.333742D+01 -0.356916D+01
      5   0.209335D+01  0.137893D+00 -0.152052D+01  0.834904D+00  0.190053D+01
      6   0.321812D+01 -0.414553D+01 -0.902040D+01  0.663730D+01  0.416625D+01
               116           117           118           119           120 
      1   0.841137D+01 -0.494254D+01 -0.102040D+02 -0.979990D+01  0.112928D+02
      2  -0.136934D+02  0.610168D+01  0.568908D+01  0.649841D+01 -0.143831D+01
      3   0.528199D+01 -0.115914D+01  0.451495D+01  0.330149D+01 -0.985454D+01
      4  -0.491826D+01  0.340317D+01  0.688150D+01  0.428879D+01 -0.253674D+01
      5   0.162261D+01 -0.107903D+01 -0.938896D+01 -0.404977D+01  0.323579D+01
      6   0.102128D+02 -0.626276D+01 -0.829575D+01 -0.818990D+01  0.888486D+01
               121           122           123           124           125 
      1  -0.832036D+01 -0.906959D+01  0.663933D+01  0.724392D+01  0.534357D+01
      2   0.558831D+01  0.804655D+01 -0.381975D+01 -0.711652D+00 -0.254410D+01
      3   0.273206D+01  0.102303D+01 -0.281958D+01 -0.653227D+01 -0.279947D+01
      4   0.600910D+01  0.784454D+00  0.196869D+00 -0.224004D+01 -0.637706D+00
      5  -0.498637D+01 -0.340687D+00  0.137137D+01  0.579559D+01  0.243930D+01
      6  -0.512027D+01 -0.890725D+01  0.847201D+01  0.604539D+01  0.708570D+01
               126           127           128           129           130 
      1  -0.835866D+01  0.166848D+02 -0.734856D+01  0.223454D+01 -0.722481D+01
      2  -0.982011D+00 -0.397998D+01 -0.308617D+01 -0.310752D+01 -0.310103D+01
      3   0.934067D+01 -0.127048D+02  0.104347D+02  0.872981D+00  0.103258D+02
      4   0.284552D+01 -0.232499D+02  0.209110D+02 -0.826055D+01  0.200384D+02
      5  -0.298921D+01  0.174187D+02 -0.121966D+02  0.122076D+02 -0.114200D+02
      6  -0.639677D+01 -0.112540D+02  0.111831D+02 -0.716381D+01  0.930146D+01
               131           132           133           134           135 
      1  -0.689598D+00  0.145920D+01  0.390140D+00  0.104177D+01  0.134984D+00
      2   0.108629D+02 -0.177132D+01 -0.208391D+01 -0.669963D-01 -0.183062D+01
      3  -0.101733D+02  0.312122D+00  0.169377D+01 -0.974771D+00  0.169564D+01
      4  -0.221024D+02  0.821710D+01 -0.373800D+01  0.421817D+01 -0.529664D+01
      5   0.117964D+02 -0.688783D+01  0.861066D+01 -0.522843D+01  0.572334D+01
      6  -0.137381D+02  0.998473D+01 -0.525975D+01  0.763332D+01 -0.446012D+01
               136           137           138           139           140 
      1   0.143415D+01  0.772503D+00  0.248876D+01  0.232677D+01 -0.212005D+01
      2  -0.309103D+01 -0.287586D+01 -0.470039D+01 -0.455282D+01 -0.399379D+01
      3   0.165688D+01  0.210335D+01  0.221163D+01  0.222605D+01  0.611384D+01
      4   0.111696D+01  0.539179D+01  0.912467D+00  0.440676D+01  0.809693D+01
      5   0.610447D+01  0.260637D+01  0.844412D+01  0.606474D+01  0.797499D+01
      6   0.366295D+00  0.304938D+01  0.151058D+01  0.226354D+01  0.113718D+02
               141           142           143           144           145 
      1  -0.516682D+01  0.188080D+01 -0.291013D+01 -0.775007D+01  0.206300D+01
      2  -0.104424D+02 -0.432396D+01 -0.712252D+01 -0.129635D+02 -0.338175D+01
      3   0.156092D+02  0.244316D+01  0.100327D+02  0.207136D+02  0.131876D+01
      4   0.595900D+01  0.251047D+00  0.510460D+01  0.515204D+01 -0.692157D+00
      5   0.125262D+02  0.747049D+01  0.642407D+01  0.132406D+02 -0.381550D+01
      6   0.780699D+01  0.130320D+01  0.904713D+01  0.659613D+01 -0.722911D+00
               146           147           148           149           150 
      1  -0.584617D+00 -0.529783D+01 -0.720628D+00 -0.561524D+00  0.288348D+01
      2   0.337115D+00  0.251433D+01 -0.107494D+00 -0.716947D+00  0.167849D+01
      3   0.247502D+00  0.278350D+01  0.828122D+00  0.127847D+01 -0.456198D+01
      4   0.252160D+01 -0.108239D+01  0.539832D+01  0.516173D+01 -0.555471D+01
      5  -0.742362D+00  0.613313D+01 -0.198581D+01 -0.533361D+01  0.920143D+01
      6  -0.180433D+00  0.386750D+00 -0.154117D+01 -0.351536D+01  0.809589D+01
               151           152           153           154           155 
      1  -0.855209D+01  0.309578D+01 -0.132336D+02  0.100877D+02  0.470157D+01
      2   0.870761D+01  0.181995D+01 -0.192536D+02 -0.221294D+01  0.308823D+00
      3  -0.155524D+00 -0.491573D+01  0.324873D+02 -0.787478D+01 -0.501039D+01
      4  -0.292227D+01 -0.697346D+01  0.867252D+01  0.616717D+01  0.120572D+02
      5   0.149868D+02  0.942160D+01 -0.442334D+02  0.312365D+01  0.312855D+01
      6   0.963821D+00  0.777679D+01 -0.821873D+01  0.127205D+01 -0.512724D+00
               156           157           158           159           160 
      1   0.395361D+01  0.106632D+02  0.574389D+01  0.178192D+01  0.105112D+02
      2  -0.934536D+00 -0.205683D+01  0.948321D+01  0.355395D+01 -0.423422D+01
      3  -0.301908D+01 -0.860641D+01 -0.152271D+02 -0.533587D+01 -0.627700D+01
      4   0.411746D+01  0.169757D+02  0.295808D+02  0.830041D+01  0.706903D+01
      5   0.316001D+01  0.189668D+01  0.807044D+01  0.105932D+02  0.464128D+01
      6   0.444246D+00 -0.188892D+00  0.434898D+00  0.340014D+01  0.165250D+01
               161           162           163           164           165 
      1   0.307115D+01  0.476138D-01  0.569472D+02 -0.199795D+02  0.730130D+00
      2   0.274741D+01 -0.410158D+00 -0.274549D+02  0.909978D+01  0.783229D+00
      3  -0.581856D+01  0.362544D+00 -0.294923D+02  0.108797D+02 -0.151336D+01
      4   0.126172D+02  0.841054D+01 -0.230498D+02  0.176419D+02  0.428624D+00
      5   0.883032D+01  0.612700D+01 -0.665343D+01  0.259364D+01  0.834753D+01
      6   0.323379D+01  0.228775D+01  0.397716D+01 -0.331610D+01 -0.972172D+00
               166           167           168           169           170 
      1  -0.300040D+02  0.143845D+02  0.106638D+01  0.754456D+01 -0.950686D+00
      2   0.131139D+02 -0.248100D+01 -0.103919D+01 -0.270340D+01  0.838576D+00
      3   0.168900D+02 -0.119035D+02 -0.271902D-01 -0.484116D+01  0.112111D+00
      4   0.222263D+02 -0.177784D+02  0.118868D+01 -0.154973D+01  0.324037D+01
      5   0.519045D+01 -0.488323D+00 -0.570801D+01  0.822797D+01 -0.259302D+01
      6  -0.351574D+01  0.335815D+01  0.240676D+01 -0.140174D+01  0.218728D+01
               171 
      1   0.385021D+01
      2  -0.361442D+01
      3  -0.235790D+00
      4  -0.242042D+01
      5  -0.197730D+01
      6  -0.581295D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.207038D+01      0.526237D+01      0.175534D+02
   x          0.154786D+01      0.393428D+01      0.131233D+02
   y          0.136513D+01      0.346982D+01      0.115741D+02
   z          0.164283D+00      0.417565D+00      0.139285D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.740617D+02      0.109748D+02      0.122111D+02
   aniso      0.132828D+02      0.196831D+01      0.219004D+01
   xx         0.807011D+02      0.119587D+02      0.133058D+02
   yx        -0.457665D-02     -0.678190D-03     -0.754588D-03
   yy         0.752912D+02      0.111570D+02      0.124138D+02
   zx        -0.185131D+01     -0.274336D+00     -0.305240D+00
   zy         0.127550D+01      0.189009D+00      0.210301D+00
   zz         0.661928D+02      0.980876D+01      0.109137D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.808138D+02      0.119754D+02      0.133244D+02
   aniso      0.152844D+02      0.226491D+01      0.252006D+01
   xx         0.885776D+02      0.131259D+02      0.146045D+02
   yx         0.141636D+00      0.209882D-01      0.233525D-01
   yy         0.820296D+02      0.121555D+02      0.135249D+02
   zx        -0.215284D+01     -0.319018D+00     -0.354956D+00
   zy         0.142203D+01      0.210723D+00      0.234460D+00
   zz         0.718342D+02      0.106447D+02      0.118439D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.03710086         -1.09842908          3.53932826
     6          1.71661404         -1.29760070          0.98095161
     6          0.22880301          1.12916899          0.37949233
     6         -0.66596329          1.14697422         -2.39244329
     8         -2.98841012          2.08991917         -2.71344322
     6          0.05751645         -3.65876329          0.82536092
     7         -1.91474647          1.69486481          2.05255782
     8          0.62535381          0.43068347         -4.11637230
     1          1.53851496          2.72335584          0.50867969
     1          3.14909156         -1.43991957         -0.49640871
     1         -3.57907889          2.50532414         -0.99789162
     1         -2.71854940          0.09691596          2.73392447
     1         -1.40008244          2.77425213          3.54056080
     1         -0.85478408         -3.82277760         -1.01540975
     1          1.19735469         -5.35165741          1.11392006
     1         -1.40774856         -3.67449984          2.28451712
     1          4.27801417          0.54925867          3.62055300
     1          1.67381743         -0.94532920          5.08403066
     1          4.18668751         -2.77189868          3.89800763

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.207038D+01      0.526237D+01      0.175534D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.207038D+01      0.526237D+01      0.175534D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.740617D+02      0.109748D+02      0.122111D+02
   aniso      0.132828D+02      0.196831D+01      0.219004D+01
   xx         0.736711D+02      0.109169D+02      0.121467D+02
   yx        -0.590766D+01     -0.875425D+00     -0.974041D+00
   yy         0.703470D+02      0.104243D+02      0.115987D+02
   zx         0.277889D+01      0.411789D+00      0.458177D+00
   zy        -0.886233D+00     -0.131326D+00     -0.146120D+00
   zz         0.781671D+02      0.115832D+02      0.128880D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.808138D+02      0.119754D+02      0.133244D+02
   aniso      0.152844D+02      0.226491D+01      0.252006D+01
   xx         0.803140D+02      0.119013D+02      0.132420D+02
   yx        -0.665482D+01     -0.986142D+00     -0.109723D+01
   yy         0.764691D+02      0.113316D+02      0.126081D+02
   zx         0.333026D+01      0.493494D+00      0.549086D+00
   zy        -0.109343D+01     -0.162029D+00     -0.180282D+00
   zz         0.856584D+02      0.126933D+02      0.141232D+02

 ----------------------------------------------------------------------
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      THE ONE-EYED VIEW OF OUR UNIVERSE SAYS YOU MUST NOT LOOK
      FAR AFIELD FOR PROBLEMS.  SUCH PROBLEMS MAY NEVER ARRIVE. 
      INSTEAD, TEND TO THE WOLF WITHIN YOUR FENCES.
      THE PACKS RANGING OUTSIDE MAY NOT EVEN EXIST.

                              -- THE AZHAR BOOK SHAMRA I:4
                                 CHILDREN OF DUNE, BY FRANK HERBERT
 Job cpu time:       0 days  1 hours 34 minutes  5.0 seconds.
 Elapsed time:       0 days  0 hours 11 minutes 47.9 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 19:53:38 2021.
